SCHEMBL1207100

SCHEMBL1207100

CCCCC(=O)c1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
KDM4E B2RXH2 3/20 0.55
POLB P06746 1/20 0.55
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CFTR P13569 1/20 0.47
HSD17B3 P37058 1/20 0.46
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 4/20 0.44
HTT P42858 2/20 0.44
HTR7 P34969 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL30484132 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EPOLBGABRA1
SCHEMBL312279 0.95 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL28685165 0.93 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EPOLBHSD17B3
SCHEMBL27397628 0.93 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EPOLBHSD17B3
SCHEMBL27591991 0.93 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EPOLBHSD17B3
Water SCHEMBL27519090 0.91 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4EPOLBHSD17B3
SCHEMBL4230481 0.89 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EPOLBCFTR
SCHEMBL30125359 0.86 GABRA1 (0.54) ALDH1A1KDM4EGABRA1GABRB2HSD17B3
SCHEMBL83892 0.86 GABRA1 (0.54) ALDH1A1KDM4EGABRA1GABRB2HSD17B3
SCHEMBL9630981 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EPOLBGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116377458-A Method for electrochemically synthesizing quinazoline derivative 安徽科技学院 2023-07-04 CN claimed
CN-116377458-A Method for electrochemically synthesizing quinazoline derivative 安徽科技学院 2023-07-04 CN disclosed
EP-1751118-B1 PYRIMIDINES FOR USE AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-12-03 EP disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
CN-100384821-C Cetp activity inhibitors JAPAN TOBACCO INC (JP) 2008-04-30 CN disclosed
CN-1893943-A Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2007-01-10 CN disclosed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
CN-1252053-A Cetp activity inhibitors JAPAN TOBACCO INC (JP) 2000-05-03 CN 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-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 ALDH1A1 3486/4885HSD17B10 2295/4885KDM4E 1498/4885
US-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 871/4885HSD17B10 769/4885KDM4E 1780/4885

“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.