SCHEMBL1267244

SCHEMBL1267244

O=C(Nc1nccs1)c1cc[c]cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.71
RAB9A P51151 9/20 0.71
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
RECQL P46063 1/20 0.68
SCD O00767 1/20 0.64
AGER Q15109 1/20 0.62
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 2/20 0.59
POLB P06746 2/20 0.58
ESR2 Q92731 1/20 0.58
ADORA2A P29274 4/20 0.58
KCNK3 O14649 1/20 0.58
KCNK9 Q9NPC2 1/20 0.58
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56

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
SCHEMBL2628996 0.83 NPC1 (0.76) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL995829 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL27594584 0.82 NPC1 (0.97) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL4290771 0.82 NPC1 (0.79) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL5249375 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL28801036 0.81 NPC1 (0.72) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL3200814 0.81 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL4293350 0.81 RAB9A (0.77) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2307971 0.81 RAB9A (0.72) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL3223685 0.81 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US disclosed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 NPC1 1160/4885RAB9A 1944/4885SMN1; SMN2 3349/4885

“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.