SCHEMBL4547998

SCHEMBL4547998

O=C(Nc1ccccn1)c1cccc2oc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ TP53 P04637 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ TOP2A P11388 2/20 0.43
▸ SORT1 Q99523 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL4548008 0.89 GRM5 (0.45) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4548004 0.89 GRM5 (0.45) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL465883 0.87 C1R (0.51) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4548002 0.85 NPC1 (0.47) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4547985 0.84 C1R (0.48) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1936924 0.83 CYP1A2 (0.50) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL442097 0.81 TOP2A (0.52) KDM4ETOP2AALDH1A1CNR2
SCHEMBL1033965 0.79 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL4548000 0.79 KCNH2 (0.43) NPC1RAB9ASMN1; SMN2TP53TOP2A
SCHEMBL1937623 0.78 TOP2A (0.68) KDM4ENPC1RAB9ASMN1; SMN2TOP2A

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 GRM5 1901/4885CHRNB2 3609/4885CHRNB4 3707/4885

“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.

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