SCHEMBL4547977

SCHEMBL4547977

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.50
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ MAPK14 Q16539 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 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
SCHEMBL4547975 0.87 TLR7 (0.49) TLR7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4547979 0.86 MEN1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL1935556 0.83 SCN9A (0.45) TLR7ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4547990 0.82 ATR (0.51) TLR7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4548012 0.82 SCN10A (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4547976 0.82 MEN1 (0.57) MAPK14MEN1KMT2ATSHRMAPT
SCHEMBL1033871 0.80 FGFR4 (0.51) TLR7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1937739 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1937921 0.80 KDM4E (0.47) KDM4E
SCHEMBL1034456 0.79 FGFR4 (0.48) TLR7CHRNB2CHRNB4CHRNA3CHRNA4

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 TLR7 2866/4885CHRNB2 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.

Send feedback