SCHEMBL1035344

SCHEMBL1035344

COC(=O)c1cccc(CN)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 3/20 0.53
CFTR P13569 1/20 0.53
LMNA P02545 2/20 0.49
LOXL2 Q9Y4K0 2/20 0.47
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL15528607 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL29424088 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL9851634 0.88 ALDH1A1 (0.55) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL15845989 0.85 ALDH1A1 (0.51) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL1128064 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRLMNALOXL2
SCHEMBL28280190 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL3676590 0.83 LMNA (0.55) ALDH1A1HSD17B10CFTRLMNATSHR
Hydrochloric Acid SCHEMBL6475587 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL2895994 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRLMNATSHR
SCHEMBL4443811 0.83 MRGPRX4 (0.50) ALDH1A1HSD17B10CFTRLMNALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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 (1 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 ALDH1A1 2326/4885HSD17B10 1813/4885CFTR 2332/4885

“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.