SCHEMBL13616196

SCHEMBL13616196

O=C1N=C(N2CCCCN2)S/C1=C/c1ccc(F)cc1OC(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL13616423 1.00 NPC1 (0.41) NPC1RAB9AMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3430916 0.99 NPC1 (0.41) NPC1RAB9AMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3430911 0.99 NPC1 (0.41) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3425800 0.99 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3425796 0.99 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3430470 0.99 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3427260 0.98 NPC1 (0.39) NPC1RAB9AMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3424727 0.98 NPC1 (0.39) NPC1RAB9AMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3424724 0.98 NPC1 (0.39) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3427259 0.98 NPC1 (0.39) NPC1RAB9AMEN1KMT2APOLB

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 4212/4885MEN1 4697/4885

“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.