SCHEMBL198144

SCHEMBL198144

c1ccc(C(c2ccccc2)(c2ccccc2)c2nnn[nH]2)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
Biphenyl SCHEMBL9539322 0.94 ALDH1A1 (0.33) KCNN4ALDH1A1
Phenylboronic Acid SCHEMBL988759 0.87 CA4 (0.44)
SCHEMBL4633672 0.87 PTPN1 (0.40)
SCHEMBL30139540 0.85 KIF11 (0.40) ALDH1A1
SCHEMBL16975529 0.85 KIF11 (0.37) TSHRALDH1A1
SCHEMBL29518677 0.83
SCHEMBL8987735 0.82 ESR1 (0.41) KCNN4TSHRALDH1A1
SCHEMBL2816468 0.80 ALDH1A1 (0.39) KCNN4ALDH1A1
Benzene SCHEMBL4593432 0.80 TSHR (0.38) TSHRALDH1A1
SCHEMBL28872444 0.80 KCNN4 (0.48) KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109621863-A One kind being used for the brominated reaction unit in biphenyl derivatives Bian position and bromination process 临海市华南化工有限公司 2019-04-16 CN claimed
WO-2010067912-A1 METHODS FOR PREPARING BIPHENYL BENZOIC ACID DERIVATIVES PHARMACOSTECH CO., LTD. (KR) 2010-06-17 WO claimed
CN-1666989-A Candesartan Cilexetil preparing process SHANXI AID PHARMACEUTICAL CO L (CN) 2005-09-14 CN claimed
EP-1032557-B1 METHOD FOR PREPARING BROMOMETHYL-BIPHENYL DERIVATIVES SANOFI SYNTHELABO (FR) 2003-09-10 EP claimed
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US claimed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US claimed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US claimed
US-6214999-B1 A BROMINATING AGENT IS REACTED IN A 2 PHASE MEDIUM, UNDER EFFECT PHOTO-IRRADIATION WITH BIPHENYL DERIVATIVE SANOFI-SYNTHELABO (FR) 2001-04-10 US claimed
EP-1032557-A1 METHOD FOR PREPARING BROMOMETHYL-BIPHENYL DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-09-06 EP claimed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP claimed
EP-0479903-B1 SUBSTITUTED IMIDAZOLES USEFUL AS ANGIOTENSIN II BLOCKERS DU PONT (US) 1996-02-21 EP claimed
EP-0685467-A1 NOVEL PYRIMIDINE DERIVATIVE AND MEDICINAL COMPOSITION NKK CORPORATION (JP) 1995-12-06 EP claimed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP claimed
EP-0479892-A1 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-15 EP claimed
EP-0479903-A1 SUBSTITUTED IMIDAZOLES. DU PONT (US) 1992-04-15 EP claimed
WO-1991000277-A1 SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
WO-1991000281-A2 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP claimed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO claimed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 KCNN4 262/4885TSHR 430/4885ALDH1A1 1169/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 KCNN4 262/4885TSHR 430/4885ALDH1A1 1169/4885

“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.