SCHEMBL3425367

SCHEMBL3425367

O=C1N=C(N2CCCCN2)SC1=Cc1cc(Br)c(F)c(Br)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.37
POLB P06746 1/20 0.37
SENP1 Q9P0U3 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
AMY1A P0DUB6 1/20 0.34
CISD1 Q9NZ45 1/20 0.33

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
SCHEMBL3425364 1.00 NPC1 (0.41) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3428606 0.85 NPC1 (0.43) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3428610 0.85 NPC1 (0.43) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL13747297 0.81 RAB9A (0.41) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL29458043 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3427709 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3435915 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3397181 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3397185 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL3406007 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1MAPT

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
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
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 4212/4885KMT2A 1752/4885

“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.