SCHEMBL4548002

SCHEMBL4548002

O=C(Nc1ccccn1)c1cccc2oc(-c3ccccc3OC(F)(F)F)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
GRM5 P41594 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR3A P46098 2/20 0.44
KCNH2 Q12809 2/20 0.44
SGMS2 Q8NHU3 1/20 0.43
CYP3A4 P08684 1/20 0.43
TOP2A P11388 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4547998 0.85 GRM5 (0.48) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4547983 0.85 MEN1 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4548001 0.84 ALOX15 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4548004 0.81 GRM5 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4548008 0.81 GRM5 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029308 0.77 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12029133 0.75 NPC1 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL12753557 0.73 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL465883 0.73 C1R (0.51) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL14897700 0.70 TGFBR1 (0.49) NPC1RAB9AMEN1KMT2ATP53

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 3859/4885RAB9A 1412/4885MEN1 4111/4885

“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.