SCHEMBL314040

SCHEMBL314040

BrCCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2A6 P11509 2/20 0.56
SIGMAR1 Q99720 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
SLC6A4 P31645 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MC4R P32245 1/20 0.44
MC5R P33032 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
SCHEMBL30985268 1.00 CYP1A2 (0.56) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL19116113 0.93 TDP1 (0.50) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL27938396 0.91 TDP1 (0.48) CYP1A2CYP2A6SIGMAR1TDP1HRH3
Acetic Acid SCHEMBL27771808 0.87 CYP1A2 (0.58) CYP1A2CYP2A6SIGMAR1TDP1HDAC1
SCHEMBL80282 0.87 SIGMAR1 (0.59) CYP1A2CYP2A6SIGMAR1HRH3HDAC1
SCHEMBL6240981 0.85 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL29560700 0.85 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3SLC6A4
SCHEMBL9129308 0.85 SIGMAR1 (0.58) CYP1A2CYP2A6SIGMAR1HRH3HDAC1
Benzaldehyde SCHEMBL27720726 0.84 RAB9A (0.55) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL7621730 0.84 SIGMAR1 (0.56) CYP1A2CYP2A6SIGMAR1HRH3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771684-B Ink composition for manufacturing organic semiconductor device 株式会社大赛璐 2024-07-12 CN claimed
EP-0950052-B1 METHOD FOR PREPARING A TETRAHYDROPYRIDIN DERIVATIVE SANOFI SYNTHELABO (FR) 2004-09-08 EP claimed
US-6118006-A REACTING 4-(3-TRIFLUOROMETHYLPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE WITH2-(2-BROMOETHYL)NAPHTHALENE SANOFI-SYNTHELABO (FR) 2000-09-12 US claimed
EP-0950052-A1 METHOD FOR PREPARING A TETRAHYDROPYRIDIN DERIVATIVE SANOFI-SYNTHELABO (FR) 1999-10-20 EP claimed
WO-1998028273-A1 METHOD FOR PREPARING A TETRAHYDROPYRIDIN DERIVATIVE SANOFI (FR) 1998-07-02 WO claimed
WO-2024218171-A1 COMPOUNDS WITH ACTIVITY AGAINST SARS-COV-2 NATIONAL HELLENIC RESEARCH FOUNDATION (GR) 2024-10-24 WO disclosed
US-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same QUANTUM GENOMICS (FR) 2021-12-07 US disclosed
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Institut National de la Santé et de la Recherche Médicale (FR) 2021-10-07 US disclosed
US-20210300953-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES TOHOKU UNIVERSITY (JP) 2021-09-30 US disclosed
CN-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed
WO-2020059646-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES 国立大学法人東北大学 2020-03-26 WO disclosed
US-10364226-B2 Pyridazinone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-07-30 US disclosed
US-4705871-A Aralkoxy and aryloxyalkoxy kojic acid derivatives G. D. SEARLE & CO. (US) 1987-11-10 US disclosed
CN-86105870-A Band 5-amino-2, the blood vessel tension peptide protoenzyme inhibitor of 5-two replacement-4-hydroxypentanoic acid bases 1987-03-11 CN disclosed
US-4644071-A Aralkoxy and aryloxyalkoxy kojic acid derivatives G. D. SEARLE & CO. (US) 1987-02-17 US disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
US-4468514-A Preparation of 3-bromocephalosporins from thiazoline azetidinones ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 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 (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-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same ANPEP, DNPEP, ENPEP CYP1A2 3100/4885CYP2A6 2296/4885SIGMAR1 4816/4885
US-20210300953-A1 OPTICALLY-ACTIVE CYCLOPENTENONE DERIVATIVES PTGIS, PTGES, PTGES2 CYP1A2 217/4885CYP2A6 146/4885SIGMAR1 4101/4885
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ANPEP, DNPEP, ENPEP CYP1A2 3100/4885CYP2A6 2296/4885SIGMAR1 4816/4885
US-10364226-B2 Pyridazinone compounds and uses thereof PDXK, PNPO, PLPBP CYP1A2 642/4885CYP2A6 622/4885SIGMAR1 3789/4885

“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.