SCHEMBL17308016

SCHEMBL17308016

S=C=Cc1cc(Oc2ccccc2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAP4K4 O95819 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
LOX P28300 1/20 0.38
KDR P35968 1/20 0.36
TNNI3K Q59H18 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 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
SCHEMBL8217612 0.77 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL558487 0.72 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8109217 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL12825399 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL753276 0.69 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8109214 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL557685 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL191210 0.69 NPC1 (0.61) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL22063717 0.68 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL691398 0.67 NPC1 (0.57) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US 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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885RAB9A 333/4885SMN1; SMN2 813/4885

“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.