SCHEMBL4548008

SCHEMBL4548008

O=C(Nc1ccccn1)c1cccc2oc(-c3cc(F)ccc3C(F)(F)F)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SORT1 Q99523 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
SCHEMBL4548004 0.93 GRM5 (0.45) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4547998 0.89 GRM5 (0.48) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4547995 0.85 MEN1 (0.43) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4548007 0.84 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4548002 0.81 NPC1 (0.47) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13509357 0.80 HTR3A (0.38) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL12673141 0.80 PARP1 (0.52) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL4548010 0.79 JAK2 (0.41) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4547992 0.78 MEN1 (0.43) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL465883 0.77 C1R (0.51) GRM5NPC1RAB9ASMN1; SMN2TP53

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 GRM5 1901/4885NPC1 3859/4885RAB9A 1412/4885

“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.