SCHEMBL4547985

SCHEMBL4547985

O=C(Nc1ccccn1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 3/20 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
SCHEMBL4547992 0.89 MEN1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL4547995 0.89 MEN1 (0.43) C1RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4547983 0.85 MEN1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL4547998 0.84 GRM5 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL1935233 0.83 CYP1A2 (0.50) C1RMEN1KMT2AKDM4EL3MBTL1
SCHEMBL465883 0.83 C1R (0.51) C1RCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4547973 0.82 ALDH1A1 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL441954 0.81 C1R (0.64) C1RALDH1A1
SCHEMBL1937414 0.79 JAK2 (0.43) C1RALDH1A1NPC1RAB9ATP53
SCHEMBL30417052 0.77 MEN1 (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MEN1

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 C1R 4838/4885CHRNB2 3609/4885CHRNB4 3707/4885

“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.