SCHEMBL4515077

SCHEMBL4515077

Nc1cccc2[nH]c(=O)[nH]c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TYMS P04818 3/20 0.44
JAK2 O60674 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MELK Q14680 1/20 0.43
STK24 Q9Y6E0 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
S100A4 P26447 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL8144559 0.76 IMPDH2 (0.50) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL4708442 0.76 S100A4 (0.40) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL3110872 0.76 CHEK1 (0.55) PARP1KDM4ECA12CA9GRIN2D
SCHEMBL3106487 0.76 FEN1 (0.50) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL16529364 0.76 KDM4E (0.48) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL6645136 0.76 KDM4E (0.48) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL12832866 0.76 KDM4E (0.48) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL30013759 0.76 PARP1 (0.49) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL3125353 0.76 PARP1 (0.49) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL29567841 0.76 FEN1 (0.50) PARP1KDM4ECA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119486999-A Azetidine compounds, pharmaceutical compositions thereof, methods of preparation and their use in the treatment of CNS disorders 伊科诺姆有限公司 2025-02-18 CN disclosed
CN-103889224-B ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC医疗公司 2017-05-24 CN disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 US disclosed
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005111030-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-11-24 WO disclosed
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026153-A1 QUINAZOLINE-2, 4-DIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed
EP-0761764-B1 Water-insoluble azo colouring agents derived from aminoquinazolinediones CLARIANT GMBH (DE) 1999-12-29 EP disclosed
US-5747566-A MONOAZO DYES FORMED BY DIAZOTIZATION AN AMINE COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed
EP-0761764-A1 Water-insoluble azo colouring agents derived from aminoquinazolinediones HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed
EP-0000737-B1 MONOAZO PIGMENTS OF THE ACETOACETYLAMINO BENZIMIDAZOLONE SERIES, THEIR PREPARATION AND THEIR USE FOR COLOURING ORGANIC MATERIAL OF HIGH MOLECULAR WEIGHT CIBA-GEIGY AG (CH) 1981-04-29 EP disclosed
EP-0000737-A1 Monoazo pigments of the acetoacetylamino benzimidazolone series, their preparation and their use for colouring organic material of high molecular weight CIBA-GEIGY AG (CH) 1979-02-21 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 (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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 PARP1 2716/4885KDM4E 1827/4885CA12 4694/4885
US-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL PARP1 2046/4885KDM4E 4500/4885CA12 4254/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS PARP1 2688/4885KDM4E 1700/4885CA12 4690/4885

“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.