SCHEMBL3751904

SCHEMBL3751904

O=c1cc(-c2ccc(Cl)cc2)nc2cc[nH]n12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.74
KDM5B Q9UGL1 1/20 0.59
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MCL1 Q07820 1/20 0.52
PSD A5PKW4 9/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11642434 0.84 RAD51 (0.73) RAD51KDM5BMAPTALDH1A1LOXL2
SCHEMBL7711852 0.70 RAD51 (0.62) RAD51KDM5BMAPTALDH1A1LOXL2
SCHEMBL11641077 0.70 KDM5B (0.46) RAD51KDM5BMAPTALDH1A1MCL1
SCHEMBL8105987 0.70 NPC1 (0.55) KDM5BMAPTALDH1A1KDM4ENPC1
SCHEMBL8100226 0.68 KDM4E (0.59) RAD51KDM5BMAPTALDH1A1PSD
SCHEMBL8108178 0.68 NPC1 (0.47) RAD51KDM5BMAPTALDH1A1MCL1
SCHEMBL8099805 0.68 NPC1 (0.58) RAD51MAPTALDH1A1KDM4ENPC1
SCHEMBL1661596 0.68 KDM5B (0.44) KDM5BMAPTALDH1A1MCL1PSD
SCHEMBL8101357 0.68 HTT (0.49) RAD51KDM5BMAPTALDH1A1MCL1
SCHEMBL7716579 0.67 LOXL2 (0.54) RAD51KDM5BALDH1A1LOXL2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2010-12-02 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 (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-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES NQO1, SOD1, MDH2 RAD51 3582/4885KDM5B 2918/4885MAPT 1702/4885

“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.