SCHEMBL4548012

SCHEMBL4548012

O=C(Nc1cccc(N2CCCC2)n1)c1cccc2sc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KIF18A Q8NI77 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SORT1 Q99523 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
IL2 P60568 1/20 0.37

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
SCHEMBL1937921 0.92 KDM4E (0.47) KIF18AKDM4EGAACNR2
SCHEMBL1937369 0.85 MEN1 (0.52) SCN10AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1032595 0.82 SCN10A (0.45) SCN10AMEN1KMT2AKIF18AKDM4E
SCHEMBL4547977 0.82 TLR7 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4548011 0.78 BRAF (0.53)
SCHEMBL465833 0.78 SCN10A (0.42) SCN10AMEN1KMT2AKIF18ASORT1
SCHEMBL1935556 0.77 SCN9A (0.45) ALDH1A1SMN1; SMN2GAAMAPTHPGD
SCHEMBL1937739 0.75 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4547976 0.75 MEN1 (0.57) MEN1KMT2AMAPTMAPK1
SCHEMBL13187927 0.75 KDM4E (0.44) SCN10AMEN1KMT2AKIF18ASORT1

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 SCN10A 3739/4885MEN1 4111/4885KMT2A 1376/4885

“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.