SCHEMBL22304735

SCHEMBL22304735

Cc1nn(-c2ccccn2)c(C(C)(C)C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ THRB P10828 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CCNA2 P20248 9/20 0.43
▸ CDK2 P24941 9/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CCNO P22674 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL18949733 0.80 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL12335145 0.77 MAPT (0.66) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL13222028 0.76 SMN1; SMN2 (0.49) MAPTALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL14231227 0.72 MAPT (0.52) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL3683672 0.71 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL20320450 0.71 PDE10A (0.41) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL9026940 0.70 SMN1; SMN2 (0.43) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL9383681 0.70 MAPT (0.66) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL7506607 0.70 SMN1; SMN2 (0.59) MAPTALDH1A1SMN1; SMN2THRBTDP1
SCHEMBL1013458 0.70 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HPGDHSD17B10

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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 — — 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 MAPT 2507/4885ALDH1A1 467/4885SMN1; SMN2 3077/4885

“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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