SCHEMBL23165181

SCHEMBL23165181

CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.61
▸ ROCK2 O75116 4/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ AR P10275 1/20 0.46
▸ KDR P35968 5/20 0.46
▸ RET P07949 4/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FLT3 P36888 2/20 0.44

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
SCHEMBL30147583 0.88 ALOX15 (0.68) ALOX15RXFP1NPC1RAB9AAR
SCHEMBL20494636 0.83 FLT3 (0.49) ALOX15ROCK2ROCK1NPC1RAB9A
SCHEMBL30071440 0.83 FLT3 (0.49) ALOX15ROCK2ROCK1NPC1RAB9A
SCHEMBL30071390 0.82 KDM4E (0.61) FLT3
SCHEMBL7493915 0.82 KDM4E (0.61) FLT3
SCHEMBL9051846 0.80 AR (0.49) ROCK2ROCK1ARFLT3
SCHEMBL2760015 0.79 KDM4E (0.66) ALOX15RXFP1NPC1RAB9AMEN1
SCHEMBL3642463 0.79 ALOX15 (0.52) ALOX15ROCK2ROCK1
SCHEMBL16571383 0.77 ALOX15 (0.43) ALOX15RXFP1NPC1RAB9AMEN1
SCHEMBL20494524 0.77 ALOX15 (0.64) ALOX15NPC1RAB9AMEN1KMT2A

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-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 — — 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-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 ALOX15 1093/4885ROCK2 2016/4885ROCK1 1532/4885

“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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