SCHEMBL17242542

SCHEMBL17242542

O=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
CCR2 P41597 2/20 0.48
DDR1 Q08345 10/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HSP90B1 P14625 1/20 0.46
TRAP1 Q12931 1/20 0.46
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
SRC P12931 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44

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
SCHEMBL17241685 0.89 CA12 (0.51) CA12CA9CCR2DDR1HDAC1
SCHEMBL17242611 0.88 CA12 (0.58) CA12CA9DDR1KDM4EALDH1A1
SCHEMBL17242694 0.84 KDM4E (0.50) CA12CCR2KDM4EALDH1A1HPGD
SCHEMBL17242709 0.82 DDR1 (0.53) CA12CA9DDR1KDM4EALDH1A1
SCHEMBL17242632 0.81 DDR1 (0.64) CA12CA9DDR1KDM4EALDH1A1
SCHEMBL10487929 0.81 PKM (0.52) CA12CA9DDR1KDM4EALDH1A1
SCHEMBL10487828 0.80 HPGD (0.74) KDM4EALDH1A1HPGDSMN1; SMN2HDAC1
SCHEMBL17242600 0.76 PKM (0.49) CA12CA9KDM4EALDH1A1HPGD
SCHEMBL17241577 0.76 CCR2 (0.53) CCR2ALDH1A1HPGDSMN1; SMN2HDAC1
SCHEMBL17242546 0.75 HTR3A (0.44) CCR2KDM4EALDH1A1HPGDSMN1; SMN2

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 3 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

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 CA12 4165/4885CA9 3799/4885CCR2 2112/4885

“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.