SCHEMBL4758381

SCHEMBL4758381

c1ccc2c(c1)Cc1ccccc1[N]2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.54
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR2A P28223 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
TSHR P16473 2/20 0.36

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
SCHEMBL688175 0.82 NOS3 (0.56) TRPA1NOS3NOS1NOS2HTR2A
SCHEMBL124176 0.79 CYP1A2 (0.44) TRPA1MAOAMAOBNOS3NOS1
SCHEMBL8429416 0.79 TRPA1 (0.42) TRPA1MAOAMAOBHRH4NOS3
SCHEMBL6713670 0.78 TRPA1 (0.41) TRPA1MAOAMAOBHRH4NOS3
SCHEMBL11227860 0.76 TRPA1 (0.40) TRPA1HRH4NOS3NOS1NOS2
SCHEMBL2086425 0.74 TRPA1 (0.47) TRPA1MAOAMAOBHRH4NOS3
SCHEMBL22081972 0.73 CYP1A2 (0.62) TRPA1MAOAMAOBCYP1A2HTR2A
SCHEMBL29881712 0.73
SCHEMBL109650 0.73 CYP1A2 (0.62) TRPA1MAOAMAOBCYP1A2HTR2A
SCHEMBL1525601 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080007158-A1 Linear Polysiloxanes, Silicone Composition, and Organic Light-Emitting Diode FAROOQ OMAR 2008-01-10 US claimed
EP-1789474-A1 LINEAR POLYSILOXANES, SILICONE COMPOSITION, AND ORGANIC LIGHT-EMITTING DIODE Dow Corning Corporation (US) 2007-05-30 EP claimed
WO-2006001874-A1 LINEAR POLYSILOXANES, SILICONE COMPOSITION, AND ORGANIC LIGHT-EMITTING DIODE DOW CORNING CORPORATION (US) 2006-01-05 WO claimed
US-20050049376-A1 High refractive index, uv-curable monomers and coating compositions prepared therefrom GENERAL ELECTRIC COMPANY 2005-03-03 US claimed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP claimed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP claimed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP claimed
CN-113039191-B Nucleotide analogues 奇异基因组学系统公司 2024-07-16 CN disclosed
WO-2024145687-A1 BIOREACTIVE PROTEINS CONTAINING AN UNNATURAL AMINO ACID AND ARGININE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed
CN-118251492-A PMP 22-targeting compounds for the treatment of summer-Mary-Tuber disease 诺华股份有限公司 2024-06-25 CN disclosed
US-20240200041-A1 Modified Pyrococcus Polymerases and Uses Thereof FIRST-CITIZENS BANK & TRUST COMPANY 2024-06-20 US disclosed
EP-3538101-B1 INHIBITORS OF CANCER AND/OR METASTASIS UNIV VIRGINIA COMMONWEALTH (US) 2024-06-19 EP disclosed
US-20240188436-A1 COMPOSITION, USE OF SAID COMPOSITION AS LIGHT-EMITTING COMPOSITION, FILM, USE OF SAID FILM AS LIGHT-EMITTING FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR DESIGNING COMPOSITION, AND PROGRAM FOR IMPLEMENTING SAID DESIGN METHOD KYULUX, INC. (JP) 2024-06-06 US disclosed
US-4820694-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1989-04-11 US disclosed
EP-0262905-A2 Modifications of 3-0-demethyl-mycinose in macrocin and lactenocin ELI LILLY AND COMPANY (US) 1988-04-06 EP disclosed
EP-0262904-A2 Modifications of mycinose and 3-0-demethylmycinose in tylosintype macrolides ELI LILLY AND COMPANY (US) 1988-04-06 EP disclosed
EP-0262903-A2 New acyl derivatives of 20-modified tylosin and desmycosin compounds ELI LILLY AND COMPANY (US) 1988-04-06 EP disclosed
US-4604380-A ADMINISTERING TO TREAT BACTERIAL OR MYCOPLASMAL INFECTION ELI LILLY AND COMPANY (US) 1986-08-05 US disclosed
EP-0188373-A2 Macrolide derivatives ELI LILLY AND COMPANY (US) 1986-07-23 EP disclosed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 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-20050049376-A1 High refractive index, uv-curable monomers and coating compositions prepared therefrom MACF1, WASF2, THEM6 TRPA1 3100/4885MAOA 3034/4885MAOB 4170/4885

“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.