SCHEMBL3633280

SCHEMBL3633280

O=C(O)C=CC(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
LMNA P02545 2/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
KMT2A Q03164 3/20 0.59
POLB P06746 1/20 0.56
EPHX2 P34913 3/20 0.51
NR1H4 Q96RI1 3/20 0.51
TAAR1 Q96RJ0 2/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL11927837 1.00 ALDH1A1 (0.72) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL26761468 0.91 ALDH1A1 (0.85) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL31432757 0.85 ALDH1A1 (0.76) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL14001912 0.85 KMT2A (0.57) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL19531788 0.85 KMT2A (0.62) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL4021293 0.84 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL5175917 0.84 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL4021288 0.84 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL15431334 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP2D6CYP2C19KMT2A
SCHEMBL5331527 0.83 LMNA (1.00) ALDH1A1LMNACYP2D6CYP2C19KMT2A

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
US-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-09-10 US disclosed
US-9067929-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-30 US disclosed
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-03-13 US disclosed
US-8586600-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2013-11-19 US disclosed
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-8242271-B2 Heterocyclic compounds and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-08-14 US disclosed
EP-2152079-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-02-17 EP disclosed
WO-2008151183-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-11 WO disclosed
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2008-12-04 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 (4 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-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ALDH1A1 261/4885LMNA 1530/4885CYP2D6 16/4885
US-20080300268-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ALDH1A1 261/4885LMNA 1530/4885CYP2D6 16/4885
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ALDH1A1 261/4885LMNA 1530/4885CYP2D6 16/4885
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 ALDH1A1 261/4885LMNA 1530/4885CYP2D6 16/4885

“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.