SCHEMBL4585191

SCHEMBL4585191

Cc1ccnc2ccc(C=O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
PTK2B Q14289 1/20 0.44
HCRTR1 O43613 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP8 Q96LD8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL29935762 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL7003951 0.86 CCR1 (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL5050803 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL360437 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL4188009 0.79 PIK3CA (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL4389687 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL29935588 0.79 ERN1 (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL4587473 0.79 ERN1 (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL732379 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL6201297 0.79 NR4A2 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2007136940-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-29 WO disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO 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 (2 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA SMN1; SMN2 943/4885ALDH1A1 3221/4885KDM4E 1121/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 SMN1; SMN2 2437/4885ALDH1A1 4089/4885KDM4E 2665/4885

“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.