SCHEMBL4547980

SCHEMBL4547980

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 4/20 0.46
ABL1 P00519 7/20 0.46
OPRM1 P35372 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DYRK1A Q13627 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
P2RX1 P51575 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL4547976 0.86 MEN1 (0.57) MAPTMEN1KMT2AMAPK1TSHR
SCHEMBL13509477 0.84 KMT2A (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4547979 0.83 MEN1 (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4547978 0.82 DHODH (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL1030617 0.81 ABL1 (0.52) NPC1RAB9AMAPTABL1OPRM1
SCHEMBL1034847 0.80 KMT2A (0.54) NPC1RAB9AMAPTABL1OPRM1
SCHEMBL4547988 0.76 IRAK4 (0.50) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13187196 0.74 ABL1 (0.48) NPC1RAB9AMAPTABL1OPRM1
SCHEMBL4547990 0.71 ATR (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL1032167 0.71 MEN1 (0.48) NPC1RAB9AMAPTABL1OPRM1

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-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

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 NPC1 3859/4885RAB9A 1412/4885MAPT 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.