SCHEMBL4547987

SCHEMBL4547987

O=C(Nc1ccccn1)c1cccc2sc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
PIK3CA P42336 2/20 0.44
ATR Q13535 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLQ O75417 1/20 0.43
MAPK10 P53779 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SCN9A Q15858 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
VCP P55072 1/20 0.40

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
SCHEMBL4547986 0.85 LMNA (0.52) ATRNPC1RAB9APOLQLRRK2
SCHEMBL4547988 0.83 IRAK4 (0.50) PIK3CAATRNPC1RAB9AJAK2
SCHEMBL1077063 0.82 ATR (0.49) F10PIK3CAATRTSHRGAA
SCHEMBL1034592 0.81 F10 (0.49) F10PIK3CAATRTSHRGAA
SCHEMBL12673383 0.81 PARP1 (0.49) F10PIK3CAATRTSHRGAA
SCHEMBL12029128 0.78 RAF1 (0.47) F10PIK3CAATRTSHRGAA
SCHEMBL4547977 0.78 TLR7 (0.50) TSHRNPC1RAB9ACHRNB2CHRNB4
SCHEMBL4547990 0.77 ATR (0.51) ATRTSHRGAANPC1RAB9A
SCHEMBL1937921 0.77 KDM4E (0.47) GAARAF1BRAF
SCHEMBL12753389 0.77 F10 (0.46) F10PIK3CAATRTSHRGAA

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 F10 1297/4885PIK3CA 3709/4885ATR 648/4885

“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.