SCHEMBL4547962

SCHEMBL4547962

Cc1ccccc1-c1nc2cccc(C(=O)Nc3nccs3)c2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
ADORA2A P29274 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 1/20 0.55
RECQL P46063 1/20 0.55
HPGD P15428 4/20 0.53
ALDH1A1 P00352 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 3/20 0.52
PKM P14618 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX12 P18054 1/20 0.52
RAB9A P51151 5/20 0.49
MAPK1 P28482 2/20 0.49

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
SCHEMBL1935233 0.85 CYP1A2 (0.50) CYP3A4CYP2C19CYP1A2CYP2C9RECQL
SCHEMBL4547959 0.84 CYP1A2 (0.53) CYP3A4CYP2C19ADORA2ACYP1A2CYP2C9
SCHEMBL4547981 0.83 ALOX15 (0.48) CYP3A4CYP2C19CYP1A2CYP2C9RECQL
SCHEMBL24072353 0.80 CYP3A4 (0.81) CYP3A4CYP2C19ADORA2ACYP1A2HPGD
SCHEMBL30339046 0.80 CYP3A4 (0.81) CYP3A4CYP2C19ADORA2ACYP1A2HPGD
SCHEMBL4547991 0.78 MGAM (0.47) CYP3A4CYP2C19CYP1A2CYP2C9RECQL
SCHEMBL4547961 0.77 DHODH (0.63) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1936726 0.77 LMNA (0.51) CYP1A2HPGDALDH1A1MEN1KMT2A
SCHEMBL4547963 0.75 GCK (0.44) ALDH1A1SMN1; SMN2L3MBTL1POLBMAPT
SCHEMBL29908280 0.74 HPGD (0.67) CYP3A4CYP2C19ADORA2ACYP1A2HPGD

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 1 patent. 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

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 CYP3A4 1060/4885CYP2C19 1118/4885ADORA2A 2006/4885

“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.