SCHEMBL408050

SCHEMBL408050

N#Cc1c[c]ccc1C#N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL232460 0.79
SCHEMBL407678 0.77
SCHEMBL191700 0.77
SCHEMBL27377 0.77
SCHEMBL407881 0.77
SCHEMBL5950637 0.77
SCHEMBL229839 0.77
SCHEMBL349411 0.77
SCHEMBL1819346 0.77
SCHEMBL16957661 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840397-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2020-11-17 US claimed
US-10461201-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2019-10-29 US claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
CN-105322191-A P-phenyl di(3,4-dicyano phenyl) thioether polymeric iron phthalocyanine and preparation method and application thereof UNIV CHANGCHUN SCIENCE & TECH 2016-02-10 CN claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-20140221354-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS FOR USE IN THERAPY EMBLEM TECHNOLOGY TRANSFER GMBH (DE) 2014-08-07 US claimed
EP-2691392-A1 IMIDAZO [1,2-A]PYRIDINE COMPOUNDS FOR USE IN THERAPY EMBLEM Technology Transfer GmbH (DE) 2014-02-05 EP claimed
WO-2012130322-A1 IMIDAZO [1,2-A]PYRIDINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 WO claimed
WO-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 WO claimed
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN claimed
EP-0423764-B1 Silver halide colour photographic material and cyan coupler of the 2-phenylureido-5-acylaminophenol type FUJI PHOTO FILM CO LTD (JP) 1996-05-08 EP claimed
US-5192651-A Color photography FUJI PHOTO FILM CO. LTD. (JP) 1993-03-09 US claimed
US-5094938-A High coupling reactivity, high color density FUJI PHOTO FILM CO., LTD. (JP) 1992-03-10 US claimed
EP-0423764-A2 Silver halide colour photographic material and cyan coupler of the 2-phenylureido-5-acylaminophenol type FUJI PHOTO FILM CO., LTD. (JP) 1991-04-24 EP claimed
EP-0164018-B1 CHROMOGENIC 4,4-DIARYL-DIHYDROQUINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1990-10-31 EP claimed
EP-0136480-B1 2,3-DICYANO-5-SUBSTITUTED PYRAZINES AND LIQUID CRYSTAL COMPOSITION CONTAINING THEM Chisso Corporation (JP) 1990-01-17 EP claimed
US-4695633-A Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US claimed
EP-0164018-A2 Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and use BAYER AG (DE) 1985-12-11 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 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 (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-20140221354-A1 IMIDAZO [1,2-a]PYRIDINE COMPOUNDS FOR USE IN THERAPY HIF1A, HIF1AN, EGLN3 TSHR 999/4885KDM4E 658/4885ALDH1A1 541/4885

“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.