SCHEMBL286931

SCHEMBL286931

Cc1cc(C(=O)O)n(C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
GRN P28799 1/20 0.58
SORT1 Q99523 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 4/20 0.43
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 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
Hydrochloric Acid SCHEMBL9680540 0.98 KDM4E (0.56) KDM4EGRNSORT1SMN1; SMN2LMNA
Formic Acid SCHEMBL28285920 0.92 KDM4E (0.51) KDM4EGRNSORT1SMN1; SMN2LMNA
SCHEMBL27637077 0.84 SMN1; SMN2 (0.48) KDM4EGRNSORT1SMN1; SMN2LMNA
SCHEMBL13982847 0.83 LMNA (0.40) KDM4EGRNSORT1SMN1; SMN2LMNA
SCHEMBL334463 0.83 SMN1; SMN2 (0.47) KDM4EGRNSORT1SMN1; SMN2LMNA
SCHEMBL387324 0.81 SMN1; SMN2 (0.46) KDM4EGRNSORT1SMN1; SMN2LMNA
SCHEMBL2338097 0.81 SMN1; SMN2 (0.46) KDM4EGRNSORT1SMN1; SMN2LMNA
SCHEMBL8571547 0.79 SMN1; SMN2 (0.44) KDM4EGRNSORT1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5754005 0.79 SMN1; SMN2 (0.44) KDM4EGRNSORT1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4035308 0.79 SMN1; SMN2 (0.44) KDM4EGRNSORT1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377511-B1 AZITHROMYCIN DERIVATIVES WITH EPITHELIAL BARRIER ENHANCEMENT PROPERTIES EPIENDO PHARMACEUTICALS EHF (IS) 2020-05-13 EP claimed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
CN-109081810-A The synthetic method of 1- methyl-3-((methylamino) methyl)-1H- pyrazoles-5- nitrile 沈阳药科大学 2018-12-25 CN claimed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US claimed
CN-108290919-A Azithromycin derivatives having epithelial barrier enhancing properties 艾比恩多制药有限责任公司 2018-07-17 CN claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
CN-103153957-B N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMAN-LA ROCHE LTD. (CH) 2016-01-20 CN claimed
WO-2005090331-A1 POLYMORPHIC AND AMORPHOUS FORMS OF 2,5-DIMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID {2-FLUORO-5-[3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDASOL-6-YLAMINO]-PHENYL}-AMIDE PFIZER INC. (US) 2005-09-29 WO claimed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US claimed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US claimed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
WO-2004092177-A1 TRIAZOLOPYRAZINES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
EP-0658547-B1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEM CORP (JP) 1998-03-11 EP claimed
EP-0658547-A1 N-pyrazolyl carbamate derivative, agricultural/horticultural fungicide containing the same as active ingredient and production intermediate thereof MITSUBISHI CHEMICAL CORPORATION (JP) 1995-06-21 EP claimed

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

For each of this compound's patents that has machine-readable text (7 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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 KDM4E 2857/4885GRN 1099/4885SORT1 3800/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A KDM4E 2520/4885GRN 1631/4885SORT1 618/4885
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F KDM4E 1800/4885GRN 3128/4885SORT1 2952/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT KDM4E 2089/4885GRN 4299/4885SORT1 3909/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 KDM4E 2857/4885GRN 1099/4885SORT1 3800/4885
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 KDM4E 1282/4885GRN 603/4885SORT1 1655/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT KDM4E 2089/4885GRN 4299/4885SORT1 3909/4885

“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.