SCHEMBL4547979

SCHEMBL4547979

O=C(Nc1ccccn1)c1cccc2sc(-c3cccc(OC(F)(F)F)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
POLQ O75417 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ROCK2 O75116 1/20 0.40
GRM5 P41594 1/20 0.40
DHODH Q02127 3/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL4547977 0.86 TLR7 (0.50) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL4547978 0.84 DHODH (0.44) MEN1KMT2ANPC1RAB9ASIRT2
SCHEMBL4547980 0.83 NPC1 (0.47) MEN1KMT2ANPC1RAB9ASIRT2
SCHEMBL1036232 0.81 SIRT2 (0.50) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL1034316 0.80 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL4547990 0.79 ATR (0.51) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL12029126 0.76 NPC1 (0.43) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL4547987 0.76 F10 (0.45) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL4547975 0.74 TLR7 (0.49) MEN1KMT2ANPC1RAB9ACHRNB2
SCHEMBL13187910 0.74 SMN1; SMN2 (0.49) MEN1KMT2ANPC1RAB9ACHRNB2

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 MEN1 4111/4885KMT2A 1376/4885NPC1 3859/4885

“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.