SCHEMBL9820198

SCHEMBL9820198

Cc1[nH]c(=O)c(C#N)c(C)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 1.00
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 7/20 0.58
HPGD P15428 4/20 0.58
UPP1 Q16831 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.40
GAA P10253 3/20 0.40
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3797196 0.81 KDM4E (0.68) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL13075980 0.81 ATM (0.68) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL1694758 0.76 KDM4E (0.61) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL8471827 0.76 KDM4E (1.00) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL16398184 0.76 KDM4E (0.61) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL3794931 0.73 KDM4E (0.64) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL10815675 0.72 KDM4E (0.56) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL4919077 0.72 ATM (0.55) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL10857081 0.71 ATM (0.54) ATMKDM4EALDH1A1HPGDUPP1
SCHEMBL16334999 0.71 POLB (0.58) ATMKDM4EALDH1A1HPGDUPP1

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 56 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-12168016-B2 Aryl-OR heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2024-12-17 US disclosed
US-12168015-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-20240245697-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-07-25 US disclosed
US-20240245698-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2024-07-25 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
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20150353494-A1 ARYL- OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-12-10 US disclosed
US-9090562-B2 Aryl- or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2015-07-28 US disclosed
US-20140288041-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds Epizyme, Inc. (US) 2014-09-25 US disclosed
US-8765732-B2 Aryl- or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2014-07-01 US disclosed
US-20130123234-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-16 US disclosed
US-8410088-B2 Aryl- or heteroaryl-substituted benzene compounds Epizyme, Inc. (US) 2013-04-02 US disclosed
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds Epizyme, Inc. 2012-10-18 US disclosed
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 EP disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 EP 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 (12 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 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20240245698-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20240277723-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20150353494-A1 ARYL- OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-12161645-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20120264734-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20240245697-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20140288041-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20130123234-A1 Aryl- or Heteroaryl-Substituted Benzene Compounds AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ATM 4685/4885KDM4E 1833/4885ALDH1A1 940/4885
US-12168015-B2 Aryl-or heteroaryl-substituted benzene compounds AHR, ARNT, CYP1B1 ATM 2772/4885KDM4E 753/4885ALDH1A1 324/4885

“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.