SCHEMBL684590

SCHEMBL684590

CCN(C)CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.40
SIGMAR1 Q99720 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 1/20 0.39
SCN1A P35498 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRM3 P20309 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL791954 0.93 CHRM3 (0.38) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL791912 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL12250550 0.88 KEAP1 (0.48) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL14300251 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL20750292 0.84
SCHEMBL24065992 0.82 CA12 (0.44) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL428435 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL792222 0.82 SIGMAR1 (0.45) ALDH1A1SMN1; SMN2KEAP1KDM4ESIGMAR1
SCHEMBL10401216 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL19493355 0.80 SIGMAR1 (0.46) SIGMAR1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216290-A1 LIPID NANOPARTICLE COMPOSITIONS AND USES THEREOF RECODE THERAPEUTICS, INC. 2024-07-04 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230293429-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS RECODE THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
WO-2020151742-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2020-07-30 WO disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed
WO-2008106619-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-04 WO disclosed
US-7342013-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-11 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885SMN1; SMN2 4306/4885KEAP1 605/4885
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS ALDH1A1 2137/4885SMN1; SMN2 277/4885KEAP1 3506/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885SMN1; SMN2 4652/4885KEAP1 3766/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885SMN1; SMN2 2633/4885KEAP1 1295/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS ALDH1A1 137/4885SMN1; SMN2 18/4885KEAP1 337/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885SMN1; SMN2 2633/4885KEAP1 1295/4885
US-20240216290-A1 LIPID NANOPARTICLE COMPOSITIONS AND USES THEREOF LIPA, NPC1L1, NPC1 ALDH1A1 3082/4885SMN1; SMN2 240/4885KEAP1 1886/4885
US-20230293429-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS CHMP4B, LIPA, NPC1L1 ALDH1A1 4006/4885SMN1; SMN2 1441/4885KEAP1 3248/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS ALDH1A1 137/4885SMN1; SMN2 18/4885KEAP1 337/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885SMN1; SMN2 4652/4885KEAP1 3766/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 ALDH1A1 1222/4885SMN1; SMN2 3205/4885KEAP1 2886/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.