SCHEMBL227354

SCHEMBL227354

N#Cc1ccc(N[C]=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP2A6 P11509 1/20 0.48
MMP2 P08253 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IL18 Q14116 1/20 0.44

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
SCHEMBL7789704 0.82 MEN1 (0.32) LMNAMEN1KMT2A
SCHEMBL6308661 0.76 IDO1 (0.47) CA2CA1ALDH1A1CYP2A6MMP2
SCHEMBL224027 0.74 MAPT (0.53) ALDH1A1MAPTLMNATSHRHTT
SCHEMBL395539 0.74 CA2 (0.52) CA2CA1ALDH1A1CYP2A6MMP2
SCHEMBL14629683 0.73 CA2 (0.47) CA2CA1ALDH1A1CYP2A6MMP2
SCHEMBL45942 0.72 CA2 (0.69) CA2CA1ALDH1A1CYP2A6TSHR
Water SCHEMBL28254092 0.72 CA2 (0.69) CA2CA1ALDH1A1CYP2A6TSHR
SCHEMBL2503454 0.72 CA2 (0.69) CA2CA1ALDH1A1CYP2A6TSHR
Water SCHEMBL28189314 0.72 CA2 (0.69) CA2CA1ALDH1A1CYP2A6TSHR
SCHEMBL428216 0.72 MEN1 (0.48) CA2CA1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2008017840-A1 CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2008-02-14 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-6008250-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1999-12-28 US claimed
US-5631038-A COMPOUNDS (TASTANDS) TO REDUCE OR ELIMINATE A BITTER OR METALLIC TASTE ARE ADDED TO FOODS CONTAINING SODIUM CHLORIDE BIORESEARCH, INC. (US) 1997-05-20 US claimed
US-5631252-A Specific eatable taste modifiers BIORESEARCH, INC. (US) 1997-05-20 US claimed
US-5631292-A COMPOUNDS TO REMOVE BITTER TASTES FROM FOOD BIORESEARCH, INC. (US) 1997-05-20 US claimed
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP claimed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP claimed
EP-0403300-B1 N-Phenylpyrazole derivatives RHONE POULENC AGRICULTURE (GB) 1995-04-12 EP claimed
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US claimed
WO-1993010677-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1993-06-10 WO claimed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP claimed
US-4892858-A Heat sensitive transfer materials FUJI PHOTO FILM CO., LTD. (JP) 1990-01-09 US claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
EP-0189840-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1986-08-06 EP disclosed
EP-0175148-A2 Silver halide photographic light-sensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1986-03-26 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 (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-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD CA2 151/4885CA1 611/4885ALDH1A1 215/4885

“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.