SCHEMBL13629853

SCHEMBL13629853

Cc1cc(F)cc(/C=C2\SC(N3CC[C@H](N(C)C)C3)=NC2=O)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.46
▸ KMT2A Q03164 10/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL13629852 1.00 MEN1 (0.46) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL13630352 0.90 MEN1 (0.43) MEN1KMT2ANPC1AMY1AGAA
SCHEMBL13747718 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL3402948 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL13747864 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL13616316 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL13616134 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL13616146 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL3402943 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3
SCHEMBL13630621 0.86 MEN1 (0.48) MEN1KMT2ANPC1PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR MEN1 4697/4885KMT2A 1752/4885NPC1 2712/4885

“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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