SCHEMBL2586136

SCHEMBL2586136

CCCc1cc(C)[nH]c(=O)c1C#N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.66
ALDH1A1 P00352 11/20 0.66
HPGD P15428 10/20 0.66
HSD17B10 Q99714 4/20 0.66
CYP1A2 P05177 2/20 0.55
GLA P06280 5/20 0.52
ATM Q13315 2/20 0.52
GAA P10253 7/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL8885364 0.90 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2587537 0.88 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8884786 0.83 ALDH1A1 (0.76) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL23860992 0.82 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2592629 0.79 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL18496678 0.79 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL15648490 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL18496649 0.78 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL17734330 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL15492822 0.76 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-12161645-B2 Aryl-or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-10 US disclosed
US-20240277723-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-08-22 US disclosed
US-20240245698-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-07-25 US disclosed
US-20240245697-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-07-25 US disclosed
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
EP-4360712-A2 ARYL- OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2024-05-01 EP disclosed
EP-3943485-B1 ARYL- OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2023-12-27 EP disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds Epizyme, Inc. 2012-10-18 US disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012142504-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
WO-2012075080-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2012-06-07 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
US-4451469-A Selected 6-alkyl-and 4,6-dialkyl-2(1H)-pyridinones as cardiotonics STERLING DRUG INC. (US) 1984-05-29 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 (11 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 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20240245698-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20240277723-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885ALDH1A1 48/4885HPGD 257/4885
US-12161645-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20240245697-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL KDM4E 711/4885ALDH1A1 358/4885HPGD 133/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885ALDH1A1 45/4885HPGD 403/4885
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 KDM4E 753/4885ALDH1A1 324/4885HPGD 240/4885

“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.