SCHEMBL4547990

SCHEMBL4547990

O=C(Nc1ccccn1)c1cccc2sc(-c3cccnc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.51
POLB P06746 2/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL4547989 0.82 NPC1 (0.49) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL4547977 0.82 TLR7 (0.50) POLBNPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL1031026 0.80 ATR (0.57) ATRPOLBGLANPSR1CHRNB2
SCHEMBL4547979 0.79 MEN1 (0.45) NPSR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1035668 0.78 CYP1A2 (0.55) ATRPOLBGLANPSR1CHRNB2
SCHEMBL4547987 0.77 F10 (0.45) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11385783 0.77 CYP1A2 (0.70) ATRNPSR1NPC1MEN1KMT2A
SCHEMBL13509477 0.76 KMT2A (0.49) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL29863092 0.74 MEN1 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4NPC1
SCHEMBL317029 0.73 PARP1 (0.58) NPC1RAB9ACYP1A2CYP2C19CYP3A4

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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 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-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ATR 648/4885POLB 2070/4885GLA 395/4885

“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.