SCHEMBL20501917

SCHEMBL20501917

Cc1coc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
MAPT P10636 6/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PSMB8 P28062 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
MEN1 O00255 1/20 0.50
ELANE P08246 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA4 P43681 1/20 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
SCHEMBL22347151 0.81 NPC1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12653007 0.79 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3507002 0.79 MEN1 (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22347698 0.79 RAB9A (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL21357623 0.79 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30106462 0.79 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22347335 0.79 NPC1 (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22347271 0.79 ALDH1A1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL22348006 0.78 MAPT (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12519405 0.77 ALDH1A1 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
WO-2018170173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 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 (2 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-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NPC1 16/4885RAB9A 2088/4885MAPT 4394/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NPC1 149/4885RAB9A 2124/4885MAPT 398/4885

“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.