SCHEMBL664660

SCHEMBL664660

[CH2]COCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.40

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
SCHEMBL111438 0.86 TSHR (0.58) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL666207 0.85 TSHR (0.50) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL7106263 0.84 TSHR (0.61) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL964827 0.84
SCHEMBL2789672 0.79 HRH3 (0.46) KDM4EHRH3
SCHEMBL3272304 0.79 ALDH1A1 (0.48) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL20118622 0.78 KDM4E (0.54) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL8362022 0.78 TSHR (0.51) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL474810 0.78 ALDH1A1 (0.51) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E
SCHEMBL10282973 0.78 TSHR (0.44) SMN1; SMN2KEAP1TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US claimed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP claimed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US claimed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US claimed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US claimed
EP-3267794-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR Yale University (US) 2018-01-17 EP claimed
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO claimed
US-8796292-B2 Selective antibacterials for clostridium difficile infections GLSYNTHESIS INC. (US) 2014-08-05 US claimed
US-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS ACURX PHARMACEUTICALS, LLC 2012-09-13 US claimed
EP-2475252-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS Glsynthesis Inc. (US) 2012-07-18 EP claimed
WO-2011031935-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS GLSYNTHESIS INC. (US) 2011-03-17 WO claimed
US-4046762-A CENTRAL NERVOUS SYSTEM INHIBITORS INSTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-09-06 US claimed
US-20240174675-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES THE SCRIPPS RESEARCH INSTITUTE 2024-05-30 US disclosed
CN-117177958-A Small molecule modulators of alveolar type 2cell proliferation for the treatment of pulmonary diseases 斯克里普斯研究学院 2023-12-05 CN disclosed
EP-4281439-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES The Scripps Research Institute (US) 2023-11-29 EP disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
US-6186612-B1 Ink jet recording method and recording apparatus using same CANON KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
US-4046762-A CENTRAL NERVOUS SYSTEM INHIBITORS INSTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-09-06 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 (6 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-20120232077-A1 SELECTIVE ANTIBACTERIALS FOR CLOSTRIDIUM DIFFICILE INFECTIONS MRPL21, RPN2, ALPI SMN1; SMN2 4154/4885KEAP1 2149/4885TSHR 4730/4885
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SMN1; SMN2 4652/4885KEAP1 3766/4885TSHR 3504/4885
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R SMN1; SMN2 4652/4885KEAP1 3766/4885TSHR 3504/4885
US-20240174675-A1 SMALL MOLECULE REGULATORS OF ALVEOLAR TYPE 2 CELL PROLIFERATION FOR THE TREATMENT OF PULMONARY DISEASES DPP4, DPP7, DPP3 SMN1; SMN2 2570/4885KEAP1 1566/4885TSHR 2982/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SMN1; SMN2 4652/4885KEAP1 3766/4885TSHR 3504/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R SMN1; SMN2 4652/4885KEAP1 3766/4885TSHR 3504/4885

“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.