SCHEMBL7752011

SCHEMBL7752011

O=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(Br)cc1F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.58
AKR1B1 P15121 1/20 0.58
TRAP1 Q12931 3/20 0.55
HSP90B1 P14625 2/20 0.55
HSP90AA1 P07900 1/20 0.55
OPRM1 P35372 4/20 0.55
DDR1 Q08345 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
ACHE P22303 1/20 0.45
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
TBXAS1 P24557 1/20 0.43
OPRD1 P41143 1/20 0.43

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
Acetic Acid SCHEMBL4363267 0.94 AKR1B1 (0.60) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL10487936 0.91 TRAP1 (0.55) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL10487983 0.88 TRAP1 (0.52) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL10487924 0.86 TRAP1 (0.53) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL10487948 0.84 ALDH1A1 (0.58) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL10487908 0.84 DDR1 (0.58) TRAP1HSP90B1HSP90AA1DDR1CA9
SCHEMBL17242523 0.83 KDM4E (0.56) OPRM1DDR1CA9CA12ACHE
SCHEMBL10487998 0.83 TRAP1 (0.47) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL10488205 0.79 TRAP1 (0.59) AKR1A1AKR1B1TRAP1HSP90B1HSP90AA1
SCHEMBL17242615 0.78 ALDH1A1 (0.52) TRAP1HSP90B1HSP90AA1DDR1PKM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 WO disclosed
EP-0712849-B1 Process of preparation of substituted quinazolin-2,4-diones CLARIANT GMBH (DE) 2001-01-17 EP disclosed
WO-1999038497-A2 OPHTHALMIC COMPOSITION R-TECH UENO, LTD. (JP) 1999-08-05 WO disclosed
US-5710319-A Process for the preparation of substituted quinazoline-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0712849-A2 Process of preparation of substituted quinazolin-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-22 EP disclosed
US-4883800-A DIABETES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4734419-A Quinazoline derivatives, compositions thereof and their use in treating diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed
EP-0218999-A2 New quinazoline derivatives, process for their production and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-22 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 AKR1A1 1692/4885AKR1B1 1525/4885TRAP1 2858/4885

“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.