SCHEMBL3406007

SCHEMBL3406007

O=C1N=C(N2CCCCN2)S/C1=C\c1cc(F)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
AMY1A P0DUB6 1/20 0.44
SENP1 Q9P0U3 1/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3427709 1.00 NPC1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL4350999 0.97 AMY1A (0.44) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL3402815 0.97 AMY1A (0.44) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL3397185 0.92 NPC1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL3435915 0.92 NPC1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL29458043 0.92 NPC1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL3397181 0.92 NPC1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL4339151 0.88 GRIN1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL3427572 0.88 GRIN1 (0.45) NPC1RAB9AAMY1ASENP1GRIN1
SCHEMBL3426774 0.85 NPC1 (0.62) NPC1RAB9AAMY1ASENP1GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 EP disclosed
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
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
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.