SCHEMBL13630358

SCHEMBL13630358

O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1NCl

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.69
▸ RAB9A P51151 4/20 0.69
▸ ALDH1A1 P00352 5/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ HPGD P15428 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ SENP1 Q9P0U3 1/20 0.54
▸ HTT P42858 1/20 0.52
▸ ALOX5 P09917 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ AMY1A P0DUB6 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL13629846 0.85 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13630095 0.85 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13616378 0.84 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13616326 0.84 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13616318 0.84 NPC1 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13616384 0.83 NPC1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4352450 0.81 SENP1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13616352 0.81 NPC1 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL13616339 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL4352447 0.81 SENP1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A

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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR NPC1 2712/4885RAB9A 4212/4885ALDH1A1 211/4885

“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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