SCHEMBL2755867

SCHEMBL2755867

Cc1cc(CNC(=O)O)no1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
ALDH1A1 P00352 2/20 0.45
EGFR P00533 1/20 0.45
GAA P10253 1/20 0.45
ROCK2 O75116 1/20 0.44
LMNA P02545 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE10A Q9Y233 1/20 0.44
MAPT P10636 3/20 0.43
NAMPT P43490 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL50403 0.87 EPHX2 (0.57) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL23576399 0.86 EPHX2 (0.56) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL26790048 0.84 EPHX2 (0.55) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL9891900 0.83 EPHX2 (0.53) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL16133691 0.83 EPHX2 (0.53) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL13118303 0.82 NPC1 (0.60) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL1964743 0.82 EPHX2 (0.52) EPHX2NPC1RAB9AADORA2AADORA1
SCHEMBL10595260 0.82 EPHX2 (0.52) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL19489299 0.79 EPHX2 (0.50) EPHX2NPC1RAB9ACYP1A2CYP2D6
SCHEMBL5802881 0.79 EPHX2 (0.50) EPHX2NPC1RAB9ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385022-B2 3-amino-pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2019-08-20 US disclosed
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS HOFFMANN-LA ROCHE INC. 2015-06-04 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-8383813-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2013-02-26 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-20120004253-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2012-01-05 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
US-8044064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2011-10-25 US disclosed
EP-1704148-B1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON INC (US) 2011-03-02 EP disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-20100152196-A1 Novel Fused Pyrrolocarbazoles CEPHALON, INC. (US) 2010-06-17 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7671064-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2010-03-02 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
US-7169802-B2 Fused pyrrolocarbazoles CEPHALON, INC. (US) 2007-01-30 US disclosed
WO-2005063763-A1 NOVEL FUSED PYRROLOCARBAZOLES CEPHALON, INC. (US) 2005-07-14 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 (4 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-10385022-B2 3-amino-pyridines as GPBAR1 agonists GPBAR1, ADRA1B, GPR119 EPHX2 2267/4885NPC1 1169/4885RAB9A 2283/4885
US-20100152196-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 EPHX2 549/4885NPC1 132/4885RAB9A 2196/4885
US-20120004253-A1 Novel Fused Pyrrolocarbazoles PC, PYCR1, CYP11B2 EPHX2 549/4885NPC1 132/4885RAB9A 2196/4885
US-20150152058-A1 3-AMINO-PYRIDINES AS GPBAR1 AGONISTS GPBAR1, ADRA1B, GPR119 EPHX2 2267/4885NPC1 1169/4885RAB9A 2283/4885

“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.