SCHEMBL6643940

SCHEMBL6643940

CONC(=O)c1cc(F)c(F)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CFTR P13569 3/20 0.39
▸ MAP2K1 Q02750 3/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36

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
SCHEMBL1203927 0.81 GAA (0.50) KDM4EGAACFTRPOLBAPEX1
SCHEMBL195591 0.81 KDM4E (0.61) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL3454204 0.80 HDAC1 (0.39) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL1559630 0.79 HDAC1 (0.46) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL1559256 0.79 KEAP1 (0.58) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL5596357 0.77 CYP1A2 (0.41) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL28149249 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL13181079 0.76 CA2 (0.44) KDM4EALDH1A1HPGDPOLBAPEX1
SCHEMBL13152424 0.76 POLB (0.65) KDM4EALDH1A1MAPTGAAGLA
SCHEMBL5224168 0.75 GCK (0.60) KDM4EALDH1A1MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 — — CN disclosed
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 — — EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 — — US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 — — 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 KDM4E 1886/4885ALDH1A1 781/4885MAPT 4486/4885

“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.

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