SCHEMBL515808

SCHEMBL515808

O=C(O)C1=Nc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.44
POLB P06746 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH1 P35367 3/20 0.40
HTR2A P28223 2/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SRD5A2 P31213 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL29697828 1.00 TRPA1 (0.44) TRPA1POLBNOS3NOS1NOS2
SCHEMBL10176168 0.83 ALDH1A1 (0.45) TRPA1NOS3NOS1NOS2SIGMAR1
SCHEMBL27457493 0.82 NOS3 (0.55) TRPA1POLBNOS3NOS1NOS2
SCHEMBL27008239 0.82 NOS3 (0.50) TRPA1POLBNOS3NOS1NOS2
SCHEMBL13356491 0.82 NOS3 (0.41) TRPA1NOS3NOS1NOS2SIGMAR1
SCHEMBL19690478 0.78 TRPA1 (0.51) TRPA1POLBNOS3NOS1NOS2
SCHEMBL11989043 0.78 HRH1 (0.38) TRPA1NOS3NOS1NOS2SIGMAR1
SCHEMBL1574796 0.77 NOS3 (0.37) TRPA1NOS3NOS1NOS2SIGMAR1
SCHEMBL2866347 0.76 MAOA (0.45) TRPA1POLBNOS3NOS1NOS2
SCHEMBL8359447 0.76 PDE3B (0.41) POLBALDH1A1MAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637680-B2 Dye-sensitized solar cell, photoelectric conversion element, and dye for use in the solar cell and the element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-01-28 US claimed
US-20120029206-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT NATIONAL UNIVERSITY CORPORATION KYUSHU INSTITUTE OF TECHNOLOGY (JP) 2012-02-02 US claimed
EP-2408058-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2012-01-18 EP claimed
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2024-01-18 US disclosed
US-20230367213-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-16 US disclosed
US-20230367213-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-16 US disclosed
US-20230367214-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-16 US disclosed
US-20230367214-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-16 US disclosed
EP-4276533-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
EP-4276534-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
US-20230194986-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-22 US disclosed
EP-2408058-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2010104117-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT 新日鐵化学株式会社 (JP) 2010-09-16 WO disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1699801-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061510-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
CN-1634025-A Use of erberry and its lignanoids compound in drug for osteoporosis TRADITIONAL CHINESE MEDICINES (CN) 2005-07-06 CN disclosed
US-5321032-A Peptide compounds and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-14 US disclosed
EP-0515681-A1 PEPTIDE COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-02 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-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 TRPA1 1109/4885POLB 4456/4885NOS3 4266/4885
US-20120029206-A1 DYE-SENSITIZED SOLAR CELL, PHOTOELECTRIC CONVERSION ELEMENT, AND DYE FOR USE IN THE SOLAR CELL AND THE ELEMENT CRY1, CRY2, SQLE TRPA1 384/4885POLB 2758/4885NOS3 3556/4885
US-20240018119-A1 CARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS MAOA, DRD2, MAOB TRPA1 4134/4885POLB 2750/4885NOS3 1606/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TRPA1 3595/4885POLB 1178/4885NOS3 30/4885

“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.