SCHEMBL1694684

SCHEMBL1694684

CCCc1cc(C)[nH]c(=O)c1CN

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
EED O75530 2/20 0.42
RBBP4 Q09028 2/20 0.42
SUZ12 Q15022 2/20 0.42
AEBP2 Q6ZN18 2/20 0.42
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
EZH2 Q15910 6/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.37
TYMP P19971 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
Hydrochloric Acid SCHEMBL13280706 0.98 KDM4E (0.49) KDM4EPKMEEDRBBP4SUZ12
SCHEMBL2594097 0.87 KDM4E (0.46) KDM4EPKMHSD17B10PDE3BPDE3A
Hydrochloric Acid SCHEMBL2591197 0.86 KDM4E (0.45) KDM4EPKMHSD17B10PDE3BPDE3A
SCHEMBL20991832 0.86 KDM4E (0.53) KDM4EPKMEEDRBBP4SUZ12
SCHEMBL16744313 0.79 EED (0.47) KDM4EPKMEEDRBBP4SUZ12
SCHEMBL19503788 0.79 KDM4E (0.45) KDM4EPKMEEDRBBP4SUZ12
SCHEMBL17734330 0.78 KDM4E (0.47) KDM4EPKMEEDRBBP4SUZ12
SCHEMBL2588935 0.78 KDM4E (0.56) KDM4EPKMEEDRBBP4SUZ12
SCHEMBL18526224 0.78 KDM4E (0.38) KDM4EPKMEEDRBBP4SUZ12
Hydrochloric Acid SCHEMBL18496682 0.77 KDM4E (0.37) KDM4EPKMEEDRBBP4SUZ12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP claimed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP claimed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US claimed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US claimed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US claimed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US claimed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP claimed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US claimed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US claimed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US claimed
WO-2025124531-A1 1, 3-BENZODIOXOL DERIVATIVES AND USES THEREOF GEWU BIO CO., LTD (CN) 2025-06-19 WO disclosed
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2025-05-29 US disclosed
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
US-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 WO disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (7 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-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 KDM4E 753/4885PKM 3407/4885EED 1667/4885
US-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885PKM 3318/4885EED 3742/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 KDM4E 753/4885PKM 3407/4885EED 1667/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885PKM 3318/4885EED 3742/4885
US-20150313887-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885PKM 3097/4885EED 3322/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885PKM 3097/4885EED 3322/4885
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 KDM4E 753/4885PKM 3407/4885EED 1667/4885

“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.