SCHEMBL4547976

SCHEMBL4547976

O=C(Nc1cccnc1)c1cccc2sc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 2/20 0.57
CSF1R P07333 3/20 0.52
KIT P10721 1/20 0.52
KDR P35968 1/20 0.52
MAPK14 Q16539 1/20 0.52
BRAF P15056 2/20 0.52
RXFP1 Q9HBX9 2/20 0.51
TSHR P16473 1/20 0.51
LRRK2 Q5S007 2/20 0.46
EPHX2 P34913 2/20 0.46
IDE P14735 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
SRPK3 Q9UPE1 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KIF11 P52732 1/20 0.44
PIKFYVE Q9Y2I7 2/20 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
SCHEMBL13509477 0.86 KMT2A (0.49) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL4547980 0.86 NPC1 (0.47) MEN1KMT2AMAPTTSHRMAPK1
SCHEMBL4547977 0.82 TLR7 (0.50) MEN1KMT2AMAPTMAPK14RXFP1
SCHEMBL1935556 0.81 SCN9A (0.45) MAPTKDR
SCHEMBL1032356 0.80 CSF1R (0.54) MEN1KMT2AMAPTCSF1RKIT
SCHEMBL1034684 0.80 CSF1R (0.56) MEN1KMT2AMAPTCSF1RKIT
SCHEMBL1937739 0.79 ALDH1A1 (0.59) MEN1KMT2AMAPT
SCHEMBL1034424 0.79 CSF1R (0.52) MEN1KMT2AMAPTCSF1RKIT
SCHEMBL12673186 0.79 PARP1 (0.63) MEN1KMT2AMAPTCSF1RKIT
SCHEMBL1937369 0.79 MEN1 (0.52) MEN1KMT2AMAPTBRAFMAPK1

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 MEN1 4111/4885KMT2A 1376/4885MAPT 703/4885

“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.