SCHEMBL4548007

SCHEMBL4548007

O=C(Nc1nccs1)c1cccc2oc(-c3cc(F)ccc3C(F)(F)F)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
GAA P10253 4/20 0.45
RAB9A P51151 4/20 0.45
MGAM O43451 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4548003 0.93 GAA (0.47) NPC1GAARAB9AMGAMSI
SCHEMBL1936924 0.89 CYP1A2 (0.50) NPC1GAARAB9AMGAMSI
SCHEMBL4548008 0.84 GRM5 (0.45) NPC1GAARAB9ACYP1A2ALDH1A1
SCHEMBL4548001 0.81 ALOX15 (0.48) NPC1GAARAB9AMGAMSI
SCHEMBL12673320 0.80 PARP1 (0.48) NPC1GAARAB9AMGAMSI
SCHEMBL13509357 0.79 HTR3A (0.38) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL4547991 0.79 MGAM (0.47) NPC1GAARAB9AMGAMSI
SCHEMBL4547959 0.78 CYP1A2 (0.53) NPC1GAARAB9ACYP1A2ALDH1A1
SCHEMBL4548009 0.78 WDR5 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL4548004 0.76 GRM5 (0.45) NPC1GAARAB9ACYP1A2ALDH1A1

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 2 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

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 NPC1 3859/4885GAA 684/4885RAB9A 1412/4885

“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.