SCHEMBL42223

SCHEMBL42223

NCc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.60
ASIC3 Q9UHC3 1/20 0.60
CYP1A2 P05177 1/20 0.60
MC4R P32245 2/20 0.57
MC5R P33032 2/20 0.57
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
MC3R P41968 1/20 0.53
AGXT P21549 2/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47

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
SCHEMBL29484442 1.00 CYP2A6 (0.60) CYP2A6ASIC3CYP1A2MC4RMC5R
Hydrochloric Acid SCHEMBL28694005 0.98 ASIC3 (0.58) CYP2A6ASIC3CYP1A2MC4RMC5R
Bromide SCHEMBL31513720 0.98 ASIC3 (0.58) CYP2A6ASIC3CYP1A2MC4RMC5R
Hydrochloric Acid SCHEMBL308711 0.98 ASIC3 (0.58) CYP2A6ASIC3CYP1A2MC4RMC5R
SCHEMBL25418645 0.93 ASIC3 (0.58) CYP2A6ASIC3CYP1A2MC4RMC5R
SCHEMBL3718291 0.93 ASIC3 (0.58) CYP2A6ASIC3CYP1A2MC4RMC5R
SCHEMBL29454377 0.93 ASIC3 (0.58) CYP2A6ASIC3CYP1A2MC4RMC5R
SCHEMBL9016348 0.89 ASIC3 (0.57) CYP2A6ASIC3CYP1A2MC4RMC5R
SCHEMBL28498541 0.88 HTR2A (0.59) CYP2A6ASIC3CYP1A2MC4RMC5R
SCHEMBL29463734 0.87 CYP2A6 (0.52) CYP2A6ASIC3CYP1A2MC4RMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12075637-B2 Perovskite solar cell and fabrication method thereof CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED (CN) 2024-08-27 US claimed
CN-117859209-A Perovskite solar cell and preparation method thereof 宁德时代新能源科技股份有限公司 2024-04-09 CN claimed
EP-4300602-A1 PEROVSKITE SOLAR CELL AND PREPARATION METHOD THEREFOR Contemporary Amperex Technology Co., Limited (CN) 2024-01-03 EP claimed
US-20230403869-A1 PEROVSKITE SOLAR CELL AND FABRICATION METHOD THEREOF CONTEMPORARY AMPEREX TECHNOLOGY (HONG KONG) LIMITED (CN) 2023-12-14 US claimed
WO-2023216132-A1 PEROVSKITE SOLAR CELL AND PREPARATION METHOD THEREFOR 宁德时代新能源科技股份有限公司 2023-11-16 WO claimed
CN-112759533-A Method for generating nitrile by catalyzing amine oxidation through nonmetal mesoporous nitrogen-doped carbon material 中国科学院大连化学物理研究所 2021-05-07 CN claimed
CN-111916571-A Red perovskite light emitting diode based on mixed halogen and preparation method thereof 华南理工大学 2020-11-10 CN claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
US-9198426-B2 Use of 5 pyridin-4-yl-1,3-thiazoles for controlling phytopathogenic fungi BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 US claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
CN-101166730-A Cinnoline compounds and their use as liver X receptor modilators WYETH CORP (US) 2008-04-23 CN claimed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
CN-1230431-C Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2005-12-07 CN claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 US claimed
EP-1132370-A2 Process for producing n-substituted polyhydroxy nitrogen-containing heterocyles MONSANTO COMPANY (US) 2001-09-12 EP claimed
EP-0624652-A1 Process for producing N-substituted polyhydroxy nitrogen-containing heterocycles MONSANTO COMPANY (US) 1994-11-17 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 (3 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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CYP2A6 607/4885ASIC3 1556/4885CYP1A2 827/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 CYP2A6 2515/4885ASIC3 4736/4885CYP1A2 2133/4885
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 CYP2A6 2796/4885ASIC3 1433/4885CYP1A2 2700/4885

“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.