SCHEMBL4547986

SCHEMBL4547986

O=C(Nc1nccs1)c1cccc2sc(-c3cccc(N4CCOCC4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
KDM4E B2RXH2 1/20 0.52
POLQ O75417 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TRPV4 Q9HBA0 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.45
ATR Q13535 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
LRRK2 Q5S007 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4547987 0.85 F10 (0.45) POLQNPC1RAB9AATRLRRK2
SCHEMBL1035037 0.83 LMNA (0.53) LMNAKDM4EPOLQALDH1A1TRPV4
SCHEMBL1030152 0.83 LMNA (0.52) LMNAKDM4EPOLQALDH1A1TRPV4
SCHEMBL4547988 0.83 IRAK4 (0.50) NPC1RAB9AATRKMT2ASMN1; SMN2
SCHEMBL12673371 0.82 LMNA (0.51) LMNAKDM4EPOLQALDH1A1TRPV4
SCHEMBL13509483 0.81 CYP1A2 (0.48) LMNAALDH1A1NPC1RAB9AMAPK1
SCHEMBL1935556 0.78 SCN9A (0.45) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL12753387 0.78 LMNA (0.51) LMNAKDM4EPOLQALDH1A1TRPV4
SCHEMBL4547989 0.78 NPC1 (0.49) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL13187529 0.77 LMNA (0.49) LMNAKDM4EPOLQALDH1A1TRPV4

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 LMNA 3451/4885KDM4E 1660/4885POLQ 3904/4885

“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.