SCHEMBL16259059

SCHEMBL16259059

O=Nc1ccc(-n2nc(I)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.38
▸ RORC P51449 7/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RARG P13631 5/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MPO P05164 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ STAT1 P42224 1/20 0.33

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
SCHEMBL2677079 0.81 PDE5A (0.44) SCN9ARORCALDH1A1KMT2ARARG
SCHEMBL12305051 0.81 MAPK1 (0.47) ALDH1A1NPC1RAB9AGAASMN1; SMN2
SCHEMBL14333535 0.79 ADORA3 (0.43) SCN9ARORCALDH1A1KMT2ANPC1
SCHEMBL14406063 0.74 SCN9A (0.53) SCN9ARORCALDH1A1GAASMN1; SMN2
SCHEMBL13036488 0.71 KDM4E (0.59) ALDH1A1KMT2ARAB9AGAASMN1; SMN2
SCHEMBL29218170 0.67 FGFR1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL24934016 0.66 GAA (0.41) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL30163066 0.66 GAA (0.41) ALDH1A1KMT2ANPC1RAB9AGAA
SCHEMBL30163022 0.65 NPC1 (0.42) KMT2ANPC1RAB9A
SCHEMBL30163006 0.65 GABRP (0.36) ALDH1A1KMT2ANPC1RAB9AGAA

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-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 — — 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-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 SCN9A 4736/4885RORC 10/4885ALDH1A1 562/4885

“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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