SCHEMBL1935233

SCHEMBL1935233

O=C(Nc1nccs1)c1cccc2nc(-c3ccccc3C(F)(F)F)oc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 5/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
C1R P00736 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
PKM P14618 2/20 0.46
ALOX12 P18054 1/20 0.46
MCL1 Q07820 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
SAE1 Q9UBE0 1/20 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
SCHEMBL4547991 0.89 MGAM (0.47) CYP1A2ALDH1A1LMNAMAPTHPGD
SCHEMBL4547981 0.86 ALOX15 (0.48) CYP1A2ALDH1A1LMNAMAPTHPGD
SCHEMBL4547962 0.85 CYP3A4 (0.55) CYP1A2ALDH1A1LMNAMAPTHPGD
SCHEMBL1936924 0.85 CYP1A2 (0.50) CYP1A2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4547985 0.83 C1R (0.48) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL1936726 0.82 LMNA (0.51) CYP1A2ALDH1A1LMNAMAPTHPGD
SCHEMBL441954 0.79 C1R (0.64) CYP1A2ALDH1A1HPGDC1RCYP2C9
Bromide SCHEMBL27908387 0.79 CYP1A2 (0.66) CYP1A2ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1033862 0.77 CYP1A2 (0.49) CYP1A2ALDH1A1LMNAMAPTHPGD
SCHEMBL1893869 0.75 PARP1 (0.61) CYP1A2ALDH1A1HPGDSMN1; SMN2GAA

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 CYP1A2 1871/4885ALDH1A1 1335/4885LMNA 3451/4885

“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.