SCHEMBL15058734

SCHEMBL15058734

CC(=Nc1ccc(C#N)cc1)c1ccc(C#N)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.66
NOS1 P29475 2/20 0.66
LMNA P02545 1/20 0.53
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL15058732 1.00 NOS3 (0.66) NOS3NOS1LMNAHTTNPC1
SCHEMBL15058733 1.00 NOS3 (0.66) NOS3NOS1LMNAHTTNPC1
SCHEMBL15322209 0.87 NOS3 (0.51) NOS3NOS1LMNANPC1RAB9A
SCHEMBL15322213 0.87 NOS3 (0.51) NOS3NOS1LMNANPC1RAB9A
SCHEMBL7700455 0.79 LMNA (0.56) NOS3NOS1LMNAHTTNPC1
SCHEMBL10298337 0.79 LMNA (0.56) NOS3NOS1LMNAHTTNPC1
SCHEMBL22920960 0.78 NOS3 (0.42) NOS3NOS1LMNAHTTNPC1
SCHEMBL14378468 0.74 LMNA (0.51) NOS3NOS1LMNAHTTNPC1
SCHEMBL22782643 0.74 LMNA (0.51) NOS3NOS1LMNAHTTNPC1
SCHEMBL6816473 0.74 NPC1 (0.54) NOS3NOS1LMNAHTTNPC1

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-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
WO-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 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-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 NOS3 382/4885NOS1 358/4885LMNA 2411/4885

“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.