SCHEMBL1936726

SCHEMBL1936726

O=C(Nc1nccs1)c1cccc2nc(-c3cccc(C(F)(F)F)c3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
POLB P06746 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 3/20 0.45
MGAM O43451 2/20 0.45
SI P14410 2/20 0.45

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
SCHEMBL4547973 0.83 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL1935233 0.82 CYP1A2 (0.50) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL12219996 0.81 CYP1A2 (0.51) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL4547991 0.81 MGAM (0.47) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL4547974 0.80 CSF1R (0.55) MAPTMEN1KMT2APOLBTSHR
SCHEMBL1035300 0.79 LMNA (0.51) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL441953 0.79 DHODH (0.65) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4547981 0.78 ALOX15 (0.48) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL1034835 0.77 SIRT2 (0.51) LMNAMAPTHPGDALDH1A1CYP1A2
SCHEMBL4547962 0.77 CYP3A4 (0.55) LMNAMAPTHPGDALDH1A1CYP1A2

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 6 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
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
EP-2331534-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-06-15 EP disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 WO 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 3451/4885MAPT 703/4885HPGD 670/4885

“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.