Benzonitrile

Benzonitrile

SCHEMBL1404032

N#Cc1ccccc1.[B+3].[F-].[F-].[F-]

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.88
MAOB P27338 4/20 0.54
MAOA P21397 3/20 0.54
APP P05067 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
ENPP2 Q13822 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MMP3 P08254 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS3 P29474 1/20 0.39

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
Benzonitrile SCHEMBL8713536 0.94 TSHR (0.88) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL1404152 0.94
Benzonitrile SCHEMBL28431334 0.94 TSHR (0.88) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL11044747 0.94
Benzonitrile SCHEMBL30929383 0.94 TSHR (1.00) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL27793280 0.94 TSHR (1.00) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL21752925 0.94
Benzonitrile SCHEMBL6640 0.94
Benzonitrile SCHEMBL9464940 0.94 TSHR (1.00) TSHRMAOBMAOAAPPALDH1A1
Benzonitrile SCHEMBL27363057 0.94 TSHR (1.00) TSHRMAOBMAOAAPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138553-A1 A Process for the Preparation of Methylene Blue DISHMAN CARBOGEN AMCIS LTD. (IN) 2023-05-04 US disclosed
EP-4110735-A1 A PROCESS FOR THE PREPARATION OF METHYLENE BLUE Dishman Carbogen Amcis Ltd. (IN) 2023-01-04 EP disclosed
CN-113105573-A Cis-1, 4-polydienes having improved cold flow resistance 株式会社普利司通 2021-07-13 CN disclosed
CN-107428871-B Cis-1, 4-polydienes having improved cold flow resistance 株式会社普利司通 2021-03-30 CN disclosed
US-10316121-B2 Cis-1,4-polydienes with improved cold flow resistance BRIDGESTONE CORPORATION (JP) 2019-06-11 US disclosed
EP-3250617-B1 CIS-1,4-POLYDIENES WITH IMPROVED COLD FLOW RESISTANCE BRIDGESTONE CORP (JP) 2019-01-02 EP disclosed
US-20180009919-A1 Cis-1,4-Polydienes With Improved Cold Flow Resistance BRIDGESTONE CORPORATION (JP) 2018-01-11 US disclosed
EP-3250617-A1 CIS-1,4-POLYDIENES WITH IMPROVED COLD FLOW RESISTANCE Bridgestone Corporation (JP) 2017-12-06 EP disclosed
CN-107428871-A Cis-1, 4-polydienes having improved cold flow resistance 株式会社普利司通 2017-12-01 CN disclosed
WO-2016123370-A1 CIS-1,4-POLYDIENES WITH IMPROVED COLD FLOW RESISTANCE BRIDGESTONE CORPORATION (JP) 2016-08-04 WO disclosed
US-5283294-A Crystalline polymer in rubber elastomer THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-02-01 US disclosed
EP-0489216-A1 High modulus rubber compositions THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-06-10 EP disclosed
US-5100982-A Halogenated Phenol THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-03-31 US disclosed
EP-0236253-B1 PROCESS FOR BULK POLYMERIZING BUTADIENE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-12-18 EP disclosed
US-5049620-A High modulus rubber composition THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-09-17 US disclosed
EP-0434596-A2 High modulus rubber composition THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-06-26 EP disclosed
EP-0336874-A1 Inverse phase polymerization THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-10-11 EP disclosed
EP-0236253-A1 Process for bulk polymerizing butadiene THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-09-09 EP disclosed
US-4383097-A USING NONCONJUGATED DIOLEFINS HAVING TRANS CONFIGURATION AND A CATALYST OF AN ORGANO ALUMINUM-NICKEL-FLUORINE COMPLEY THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-05-10 US disclosed
US-3985677-A POLYMERIZATION OF BUTADIENE ANDOR BUTADIENE WITH DIOLEFINS WITH HIGH CIS-1,4 ADDITION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-10-12 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 (1 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-20230138553-A1 A Process for the Preparation of Methylene Blue B2M, PURB, POLM TSHR 2167/4885MAOB 45/4885MAOA 348/4885

“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.