SCHEMBL13616304

SCHEMBL13616304

O=C1N=C(N2CCC2)S/C1=C\c1cc(F)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
SENP1 Q9P0U3 1/20 0.57
AMY1A P0DUB6 1/20 0.56
GRIN1 Q05586 2/20 0.55
GRIN2B Q13224 2/20 0.55
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3426768 0.98 NPC1 (0.62) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL3426774 0.98 NPC1 (0.62) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL13630087 0.98 NPC1 (0.62) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL4344022 0.96 NPC1 (0.64) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL3426995 0.96 NPC1 (0.64) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL4343587 0.90 AMY1A (0.59) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL13629855 0.90 AMY1A (0.59) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL4343583 0.90 AMY1A (0.59) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL3427925 0.88 RAB9A (0.62) NPC1RAB9ASENP1AMY1AGRIN1
SCHEMBL3427921 0.88 RAB9A (0.62) NPC1RAB9ASENP1AMY1AGRIN1

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 4212/4885SENP1 4049/4885

“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.