SCHEMBL48858

SCHEMBL48858

CCN(CC)CCCNC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
PAOX Q6QHF9 4/20 0.55
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.46
ADRA1A P35348 1/20 0.45
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 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
SCHEMBL18572992 0.92 KDM4E (0.64) ALDH1A1KDM4EMAPK1HIF1APAOX
SCHEMBL28551495 0.92 KDM4E (0.64) ALDH1A1KDM4EMAPK1HIF1APAOX
SCHEMBL474091 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1HIF1APAOX
SCHEMBL23171275 0.85 KDM4E (0.54) ALDH1A1KDM4EMAPK1HIF1APAOX
SCHEMBL13655423 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EPAOXGAALMNA
SCHEMBL7260964 0.84 ALDH1A1 (0.59) ALDH1A1PAOXGAALMNAALOX15
SCHEMBL13220638 0.84 KDM4E (0.54) ALDH1A1KDM4EMAPK1HIF1APAOX
SCHEMBL14531289 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EMAPK1HIF1APAOX
SCHEMBL17415969 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EMAPK1PAOXGAA
SCHEMBL14694013 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EMAPK1PAOXGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798271-A1 ISOINDOLINE DERIVATIVES BASF Colors & Effects GmbH (DE) 2021-03-31 EP disclosed
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-05-19 US disclosed
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-04-25 US disclosed
EP-3293177-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-14 EP disclosed
WO-2016196994-A9 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-02 WO disclosed
US-20130005696-A1 BUFADIENOLIDE DERIVATIVES, PREPARING PROCESS THEREOF, COMPOSITION COMPRISING THE SAME AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-01-03 US disclosed
US-20130005696-A1 BUFADIENOLIDE DERIVATIVES, PREPARING PROCESS THEREOF, COMPOSITION COMPRISING THE SAME AND THE USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-01-03 US disclosed
US-8152863-B2 Pigment dispersion composition, red colored composition, colored curable composition, color filter for a solid state imaging device and method for producing the same, and solid state imaging device FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129541-B2 5-phenylthiazole derivatives and use as PI3 kinase inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-7687637-B2 5-phenylthiazole derivatives and use as Pi3 kinase inhibitors NOVARTIS AG (CH) 2010-03-30 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-4537946-A POLYEDOXIDE CURING AGENTS CIBA-GEIGY CORPORATION (US) 1985-08-27 US disclosed
US-4499268-A REACTING N-CYANO-N-(AR OR CYCLO)ALKYLCARBOXLIC AMINE WITH EITHER SODIUM(OR POTASSIUM) HYDROXIDE), AMINE, OR ALCOHOL CIBA GEIGY CORPORATION (US) 1985-02-12 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 (5 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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885KDM4E 967/4885MAPK1 66/4885
US-20190119217-A1 TYROSINE KINASE INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ABL1, LCK, ERBB2 ALDH1A1 2300/4885KDM4E 843/4885MAPK1 234/4885
US-10654808-B2 Tyrosine kinase inhibitor and pharmaceutical composition comprising same ABL1, LCK, ERBB2 ALDH1A1 2300/4885KDM4E 843/4885MAPK1 234/4885
US-20130005696-A1 BUFADIENOLIDE DERIVATIVES, PREPARING PROCESS THEREOF, COMPOSITION COMPRISING THE SAME AND THE USE THEREOF CYP11B1, CYP51A1, U2AF1 ALDH1A1 731/4885KDM4E 3370/4885MAPK1 2626/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 ALDH1A1 451/4885KDM4E 3395/4885MAPK1 1077/4885

“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.