SCHEMBL3430745

SCHEMBL3430745

O=C1CCCN(C2=NC(=O)C(=Cc3ccc(F)cc3OC(=O)N3CCCC3)S2)N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
AMY1A P0DUB6 1/20 0.34
GFER P55789 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13747828 1.00 MEN1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3430741 1.00 MEN1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3430470 0.88 NPC1 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3425796 0.88 NPC1 (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3425800 0.88 NPC1 (0.40) MEN1KMT2ANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL3424727 0.87 NPC1 (0.39) MEN1KMT2ANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL3424724 0.87 NPC1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3427260 0.87 NPC1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3427259 0.87 NPC1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13616196 0.87 NPC1 (0.41) MEN1KMT2ANPC1RAB9APOLB

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 MEN1 4697/4885KMT2A 1752/4885NPC1 2712/4885

“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.