SCHEMBL2866347

SCHEMBL2866347

O=C(O)C1=Nc2ccccc2CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TRPA1 O75762 4/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
POLB P06746 1/20 0.37
HRH1 P35367 3/20 0.35
HTR2A P28223 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL11040814 0.91 MAOA (0.39) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL7568554 0.83 TRPA1 (0.38) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL11036381 0.83 NOS3 (0.37) MAOAMAOBTRPA1NOS3NOS1
Potassium Ion SCHEMBL10910684 0.83 NOS3 (0.37) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL73322 0.83 NOS3 (0.37) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL2783069 0.81 NOS3 (0.36) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL2778638 0.80 TRPA1 (0.48) TRPA1NOS3NOS1NOS2POLB
Hydrochloric Acid SCHEMBL11091871 0.78 NOS3 (0.40) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL515808 0.76 TRPA1 (0.44) MAOAMAOBTRPA1NOS3NOS1
SCHEMBL29697828 0.76 TRPA1 (0.44) MAOAMAOBTRPA1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059124-B1 POLYMERIC SURFACTANT USEFUL FOR THE PREPARATION OF PESTICIDAL AGROCHEMICAL COMPOSITIONS LAMBERTI SPA (IT) 2016-06-15 EP claimed
US-6897315-B2 Method for producing 8-methoxy-quinolinecarboxylic acids BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2005-05-24 US claimed
EP-1034173-B1 METHOD FOR PRODUCING 8-METHOXY-QUINOLINE CARBOXYLIC ACIDS BAYER HEALTHCARE AG (DE) 2005-04-27 EP claimed
US-20030208069-A1 Method for producing 8-methoxy-quinoline carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 2003-11-06 US claimed
US-20030139454-A1 Fungicidal active compound combinations STENZEL KLAUS (DE) 2003-07-24 US claimed
US-20010016591-A1 Fungicidal active compound combinations STENZEL KLAUS (DE) 2001-08-23 US claimed
EP-0707792-B1 Fungicidal combinations of active agents BAYER AG (DE) 1999-01-20 EP claimed
EP-0657448-B1 One pot process for the preparation of 3-quinolonecarboxylic acid derivatives BAYER AG (DE) 1998-03-04 EP claimed
US-5639886-A One-pot process for the preparation of 3-quinolonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-06-17 US claimed
EP-0233910-B1 PLANT PROTECTING COMPOSITION INNOFINANCE Altalános Innovácios Pénzintézet (HU) 1990-09-19 EP claimed
EP-0188194-B1 AMINOACRYLIC ACID DERIVATIVES BAYER AG (DE) 1990-07-04 EP claimed
EP-0149560-B1 FUNGICIDAL COMPOSITIONS UNIROYAL LIMITED (GB) 1989-12-06 EP claimed
CN-86100221-A AMINOACRYLIC ACID DERIVATIVES 1986-07-16 CN claimed
US-4431553-A Lubricant composition containing metal oxyquinolinate AUTOIPARI KUTATO INTEZET (HU) 1984-02-14 US claimed
JP-2231476-A None JP disclosed
JP-7196621-A None JP disclosed
CN-114128971-B Hair treatment device and cosmetic method 欧莱雅 2024-04-12 CN disclosed
US-4374138-A PENICILLINS WARNER-LAMBERT COMPANY (US) 1983-02-15 US disclosed
US-4328341-A Process for preparing certain pyrano[3,2-g]quinoline 2,8-dicarboxylates and 4-oxo-quinoline-2-carboxylates FISONS LIMITED (GB) 1982-05-04 US disclosed
EP-0030423-A1 A process for the production of 1,4-dihydro-4-oxo-quinoline-2-carboxylic acids, or salts, esters or amides thereof and intermediates therefor FISONS plc (GB) 1981-06-17 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 (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-20030208069-A1 Method for producing 8-methoxy-quinoline carboxylic acids QARS1, QPCT, PAM MAOA 248/4885MAOB 588/4885TRPA1 4487/4885
US-20010016591-A1 Fungicidal active compound combinations CYP51A1, ERG28, CYP4X1 MAOA 1096/4885MAOB 1516/4885TRPA1 1684/4885
US-20030139454-A1 Fungicidal active compound combinations CYP51A1, ERG28, CYP4X1 MAOA 1096/4885MAOB 1516/4885TRPA1 1684/4885

“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.