SCHEMBL564494

SCHEMBL564494

Oc1cccc2ccc(-c3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
METAP2 P50579 2/20 0.53
PLAU P00749 1/20 0.53
NCF1 P14598 1/20 0.53
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 4/20 0.53
ALOX12 P18054 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
PDE4D Q08499 2/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49

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
SCHEMBL29729655 1.00 PARP1 (0.58) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL29040612 0.98 PARP1 (0.57) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL16586107 0.98 PARP1 (0.57) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL6431677 0.98 PARP1 (0.57) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL30457867 0.98 PARP1 (0.57) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL29040616 0.98 PARP1 (0.57) PARP1METAP2PLAUNCF1KDM4E
Lithium SCHEMBL17924084 0.98 PARP1 (0.57) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL19831118 0.87 KMT2A (0.53) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL30835119 0.87 KMT2A (0.53) PARP1METAP2PLAUNCF1KDM4E
SCHEMBL17067686 0.87 PARP1 (0.54) PARP1METAP2PLAUNCF1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024530-B Isatin-1, 2, 4-oxadiazole compound and preparation method and application thereof 合肥工业大学 2023-07-18 CN claimed
CN-111704633-A Mo catalyst and application thereof in preparation of 9, 10-epoxy-1, 5-cyclododecadiene 万华化学集团股份有限公司 2020-09-25 CN claimed
EP-1572663-B1 BIPHENYLCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-03-20 EP claimed
EP-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP claimed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US claimed
US-20050182120-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms ELBE HANS-LUDWIG (DE) 2005-08-18 US claimed
US-20040053971-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms BAYER CROPSCIENCE AG (DE) 2004-03-18 US claimed
US-20040039043-A1 Biphenyl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-02-26 US claimed
US-20030230738-A1 Light emissive materials incorporating quinolinolato metal complexes CANON KABUSHIKI KAISHA (JP) 2003-12-18 US claimed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP claimed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO claimed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO claimed
CN-119841770-A Industrial preparation method of 4- (6-aminopyridine-3-yl) piperazine-1-carboxylic acid tert-butyl ester 浙江中科创越药业有限公司 2025-04-18 CN disclosed
EP-3457450-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-12 EP disclosed
CN-117986220-A Method for preparing substituted chromanone derivative 杭州杜易科技有限公司 2024-05-07 CN disclosed
US-4738796-A HEAT STABILIZATION USING MIXTURE OF 8-HYDROXYQUINOLINE AND ORGANIC PHOSPHATES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-04-19 US disclosed
US-4705896-A Novel extractants for the recovery of palladium ALLIED CORPORATION (US) 1987-11-10 US disclosed
EP-0166151-A1 Novel extractants and method for the recovery of palladium AlliedSignal Inc. (US) 1986-01-02 EP disclosed
US-3956420-A CPOLYOLEFIN COMPOSITION FOR ELECTRICAL INSULATIONFERROCENE, 8-SUBSTITUTED QUINOLINE DAINICHI-NIPPON CABLES, LTD. (JA) 1976-05-11 US 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-20040053971-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms MRPL21, Q6ZSR9, MRM1 PARP1 811/4885METAP2 1639/4885PLAU 3452/4885
US-20050182120-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms DDT, MRPL21, DCXR PARP1 1212/4885METAP2 1705/4885PLAU 2603/4885
US-20040039043-A1 Biphenyl carboxamides CYP1A1, AHR, CYP1B1 PARP1 449/4885METAP2 3087/4885PLAU 3937/4885

“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.