SCHEMBL7375141

SCHEMBL7375141

CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ATM Q13315 1/20 0.49
CES1 P23141 2/20 0.47
CES2 O00748 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 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
SCHEMBL30981379 1.00 CRHBP (0.50) CRHBPCRHR2ATMCES1CES2
SCHEMBL20474769 0.87 CRHBP (0.46) CRHBPCRHR2ATMCES1CES2
SCHEMBL7375065 0.85 CRHBP (0.52) CRHBPCRHR2ATMCES1CES2
SCHEMBL10373835 0.84 ATM (0.54) CRHBPCRHR2ATMCES1CES2
SCHEMBL7371730 0.84 CRHBP (0.51) CRHBPCRHR2ATMCES1CES2
SCHEMBL18585552 0.83 FSCN1 (0.54) CRHBPCRHR2ATMCES1ALDH1A1
SCHEMBL18585286 0.83 MEN1 (0.46) CRHBPCRHR2ATMCES1ALDH1A1
SCHEMBL20474754 0.82 KMT2A (0.45) CRHBPCRHR2ATMCES1ALDH1A1
SCHEMBL20474786 0.82 ACHE (0.44) CRHBPCRHR2ATMCES1ALDH1A1
SCHEMBL8305961 0.82 ALDH1A1 (0.50) ATMCES1CES2ALDH1A1KMT2A

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 13 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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 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 (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 CRHBP 612/4885CRHR2 183/4885ATM 4824/4885
US-10189775-B2 Carbocyclic compounds as ROR gamma modulators RORB, RORC, RORA CRHBP 612/4885CRHR2 183/4885ATM 4824/4885
US-20190144375-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA CRHBP 663/4885CRHR2 191/4885ATM 4841/4885
US-20180237382-A1 NOVEL CARBOCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORC, RORA CRHBP 663/4885CRHR2 191/4885ATM 4841/4885

“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.