SCHEMBL7410067

SCHEMBL7410067

CN(C(=O)c1ccc(N)cc1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
PRMT1 Q99873 1/20 0.43
MAOA P21397 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
P2RX7 Q99572 1/20 0.42

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
SCHEMBL8581201 0.91 KMT2A (0.50) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL2127770 0.91 KMT2A (0.50) EGFRERBB2ALDH1A1POLBTDP1
SCHEMBL21652258 0.85 SMN1; SMN2 (0.48) CHEK2EGFRERBB2ALDH1A1POLB
SCHEMBL18585572 0.85 ATF1 (0.42) CHEK2EGFRERBB2KMT2AMEN1
SCHEMBL23367841 0.84 SMN1; SMN2 (0.60) CHEK2EGFRERBB2ALDH1A1POLB
SCHEMBL7406735 0.84 HSD17B1 (0.50) EGFRERBB2ALDH1A1TDP1KMT2A
SCHEMBL7400709 0.83 EGFR (0.48) CHEK2EGFRERBB2ALDH1A1POLB
SCHEMBL97673 0.83 EGFR (0.48) CHEK2EGFRERBB2ALDH1A1POLB
SCHEMBL12311615 0.82 KMT2A (0.64) EGFRERBB2ALDH1A1POLBKMT2A
SCHEMBL7373511 0.82 KMT2A (0.64) EGFRERBB2ALDH1A1POLBKMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 US disclosed
US-10336688-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-02 US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 US disclosed
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-05-16 US disclosed
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-01-29 US disclosed
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-01-29 US disclosed
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-08-23 US disclosed
EP-3341357-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2018-07-04 EP disclosed
WO-2017037595-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-03-09 WO disclosed
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0632017-B1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-05-06 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US disclosed
EP-0632017-A1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-01-04 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 (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-10336688-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA CHEK2 3734/4885EGFR 1903/4885ERBB2 1513/4885
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA CHEK2 3734/4885EGFR 1903/4885ERBB2 1513/4885
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA CHEK2 3838/4885EGFR 1961/4885ERBB2 1629/4885
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA CHEK2 3838/4885EGFR 1961/4885ERBB2 1629/4885

“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.