SCHEMBL5487519

SCHEMBL5487519

CC(=O)c1ccccc1CC#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 8/20 0.44
HPGD P15428 3/20 0.44
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 2/20 0.39
CFTR P13569 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSPO P30536 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4137654 0.84 ALDH1A1 (0.47) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2422410 0.82 FOLH1 (0.53) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL7121210 0.82 LMNA (0.41) KMT2AALDH1A1HPGDGALR3RAB9A
SCHEMBL19014341 0.81 TSHR (0.44) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL20682204 0.81 TSHR (0.44) KMT2AALDH1A1HPGDLMNAKDM4E
SCHEMBL2863807 0.81 BCAT2 (0.46) KMT2AALDH1A1HPGDRAB9AKDM4E
SCHEMBL31722804 0.81 ALDH1A1 (0.44) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL8965146 0.81 ALDH1A1 (0.44) KMT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL11388477 0.81 ALDH1A1 (0.44) KMT2AALDH1A1HPGDKDM4EMEN1
SCHEMBL2427784 0.80 ALDH1A1 (0.57) KMT2AALDH1A1LMNAKDM4EMEN1

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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
US-20110039314-A1 Composition for Catalytic Amide Production and Uses Thereof LOYOLA UNIVERSITY OF CHICAGO (US) 2011-02-17 US disclosed
US-20110039314-A1 Composition for Catalytic Amide Production and Uses Thereof LOYOLA UNIVERSITY OF CHICAGO (US) 2011-02-17 US disclosed
WO-2011020025-A1 COMPOSITION FOR CATALYTIC AMIDE PRODUCTION AND USES THEREOF LOYOLA UNIVERSITY OF CHICAGO (US) 2011-02-17 WO disclosed
CN-1310967-C Catalyst component for olefin polymerization reaction and its catalyst CHINA PETROCHEMICAL CORP (CN) 2007-04-18 CN disclosed
EP-1499306-A4 BICYCLIC AMIDES MERCK & CO INC (US) 2007-03-28 EP disclosed
CN-1715301-A Catalyst component for olefin polymerization reaction and its catalyst CHINA PETROCHEMICAL CORP (CN) 2006-01-04 CN disclosed
EP-1499306-A2 BICYCLIC AMIDES Merck & Co., Inc. (US) 2005-01-26 EP disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 KMT2A 2377/4885ALDH1A1 1702/4885HPGD 1776/4885

“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.