SCHEMBL13616378

SCHEMBL13616378

CC(=O)Nc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ AMY1A P0DUB6 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ POLB P06746 1/20 0.53
▸ SENP1 Q9P0U3 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALOX5 P09917 1/20 0.51
▸ IDE P14735 1/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL13616380 0.86 NPC1 (0.57) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL13630358 0.84 NPC1 (0.69) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL13616326 0.83 NPC1 (0.64) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL13616382 0.82 KMT2A (0.49) NPC1RAB9AAMY1AALDH1A1MEN1
SCHEMBL13616384 0.81 NPC1 (0.61) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL13616122 0.80 SENP1 (0.78) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL4352450 0.80 SENP1 (0.78) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL4352447 0.80 SENP1 (0.78) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL3428798 0.79 SENP1 (0.80) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2
SCHEMBL3428804 0.79 SENP1 (0.80) NPC1RAB9AAMY1AALDH1A1SMN1; SMN2

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 3 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
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 NPC1 2712/4885RAB9A 4212/4885AMY1A 3049/4885

“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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