SCHEMBL4451494

SCHEMBL4451494

COC(=O)c1cccc(-c2noc(-c3cccc(C#N)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
CHRNB2 P17787 1/20 0.57
CHRNA5 P30532 1/20 0.57
CHRNA4 P43681 1/20 0.57
GRM5 P41594 2/20 0.56
MAPT P10636 4/20 0.51
PLAU P00749 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
S1PR3 Q99500 1/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.46
S1PR1 P21453 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL13427330 0.84 NPC1 (0.73) NPC1RAB9AMAPTL3MBTL1TP53
SCHEMBL19131023 0.84 NPC1 (0.70) NPC1RAB9AMAPTL3MBTL1TP53
SCHEMBL7822720 0.84 PLAU (0.61) PLAUMRGPRX4
SCHEMBL29215206 0.82 NPC1 (0.71) NPC1RAB9AGRM5MAPTL3MBTL1
SCHEMBL61059 0.80 NPC1 (0.71) NPC1RAB9AMAPTL3MBTL1TP53
SCHEMBL1429969 0.80 S1PR1 (0.63) NPC1RAB9AMAPTTP53POLB
SCHEMBL4875219 0.80 NPC1 (0.67) NPC1RAB9AMAPTL3MBTL1TP53
SCHEMBL4442300 0.79 LOXL2 (0.61) NPC1RAB9AMAPTL3MBTL1S1PR3
Hydrochloric Acid SCHEMBL4444266 0.78 LOXL2 (0.60) NPC1RAB9AMAPTL3MBTL1S1PR3
SCHEMBL6288879 0.78 USP30 (0.47) NPC1RAB9ACHRNB2CHRNA5CHRNA4

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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 NPC1 211/4885RAB9A 2589/4885CHRNB2 4885/4885

“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.