SCHEMBL16495617

SCHEMBL16495617

Cc1cccc(-c2ccc(C(=O)NC3CCOC3=O)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ HPGDS O60760 2/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ USP30 Q70CQ3 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
SCHEMBL16495829 0.87 HPGDS (0.57) KMT2AHPGDSKDM1A
SCHEMBL16495418 0.82 GABRA5 (0.61) GABRA5HPGDS
SCHEMBL12775215 0.77 HPGDS (0.58) GABRA5KMT2AHPGDSHSD17B10USP30
SCHEMBL14190793 0.77 HPGDS (0.58) GABRA5KMT2AHPGDSUSP30
SCHEMBL16495494 0.76 HPGDS (0.51) GABRA5HPGDS
SCHEMBL21880646 0.75 RAB9A (0.53) KMT2AHSD17B10
SCHEMBL12318668 0.75 RAB9A (0.53) KMT2AHSD17B10
SCHEMBL16495430 0.75 HPGDS (0.50) GABRA5HPGDS
SCHEMBL16495485 0.75 SRC (0.50) HPGDSUSP30
SCHEMBL16495534 0.75 HPGD (0.64) KMT2A

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 GABRA5 1938/4885KMT2A 3206/4885HPGDS 1073/4885

“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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