SCHEMBL6780672

SCHEMBL6780672

CCOC(=O)c1ccn(Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
F2RL3 Q96RI0 2/20 0.51
TSHR P16473 1/20 0.50
MAPK1 P28482 3/20 0.48
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
KLKB1 P03952 1/20 0.46
PRMT1 Q99873 1/20 0.46
CYP19A1 P11511 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10590280 0.85 TSHR (0.50) ALDH1A1LMNASMN1; SMN2TSHRCYP2C19
SCHEMBL10314669 0.82 TSHR (0.53) ALDH1A1LMNASMN1; SMN2TSHRMAPK1
SCHEMBL6773677 0.81 CA12 (0.50) ALDH1A1LMNATSHRMAPK1MAPT
SCHEMBL10314670 0.81 TSHR (0.52) ALDH1A1LMNASMN1; SMN2F2RL3TSHR
SCHEMBL4670870 0.80 CYP2C19 (0.53) LMNASMN1; SMN2TSHRCYP2C19MAPT
SCHEMBL2514239 0.79 CYP2C19 (0.55) TSHRCYP2C19MAPTKLKB1CYP19A1
SCHEMBL11308985 0.77 BRD4 (0.63) ALDH1A1LMNASMN1; SMN2F2RL3MAPK1
SCHEMBL4155873 0.76 CYP2C19 (0.53) TSHRCYP2C19MAPTGAAKLKB1
SCHEMBL6773119 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPTGAA
SCHEMBL18295094 0.75 F2RL3 (0.56) ALDH1A1LMNASMN1; SMN2F2RL3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9709907-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-07-18 US disclosed
US-9709907-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-07-18 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-9500966-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
US-9500966-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2016-11-22 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
US-20150362848-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-12-17 US disclosed
US-20150362848-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-12-17 US disclosed
EP-0771790-B1 Process for preparing 1-substituted pyrrole-3-carboxylic acid derivatives DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-01 EP disclosed
US-20030166926-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2003-09-04 US disclosed
US-6489473-B2 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION SUNTORY LIMITED (JP) 2002-12-03 US disclosed
US-20020072515-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2002-06-13 US disclosed
EP-0807632-B1 PYRROLOAZEPINE DERIVATIVES SUNTORY LTD (JP) 2002-04-17 EP disclosed
US-6258805-B1 TREATMENT OF BRAIN DISORDERS AND HYPERTENSION SUNTORY LIMITED (JP) 2001-07-10 US disclosed
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 US disclosed
EP-0807632-A1 PYRROLOAZEPINE DERIVATIVES SUNTORY LIMITED (JP) 1997-11-19 EP disclosed
US-5684161-A Process for preparing 1-substituted pyrrole-3-carboxylic acid derivatives SUNTORY LIMITED (JP) 1997-11-04 US disclosed
EP-0771790-A1 Process for preparing 1-substituted pyrrole-3-carboxylic acid derivatives SUNTORY LIMITED (JP) 1997-05-07 EP 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 (3 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-20020072515-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C ALDH1A1 2580/4885LMNA 3275/4885SMN1; SMN2 2928/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C ALDH1A1 2451/4885LMNA 3140/4885SMN1; SMN2 2929/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 ALDH1A1 1991/4885LMNA 2649/4885SMN1; SMN2 1530/4885

“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.