SCHEMBL2332795

SCHEMBL2332795

O=C(O)c1cccnc1Oc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
MAPK8 P45983 3/20 0.52
CCR2 P41597 2/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTR1A P08908 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL10970691 0.88 TSHR (0.51) TP53HTTMAPK8CCR2LMNA
SCHEMBL2335696 0.85 GPBAR1 (0.60) TP53CCR2LMNASMN1; SMN2TDP1
SCHEMBL2783223 0.85 CCR2 (0.47) MAPK8CCR2LMNASMN1; SMN2HTR1A
SCHEMBL2336929 0.84 MRGPRX4 (0.54) CCR2LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL2782808 0.83 LMNA (0.53) MAPK8LMNASMN1; SMN2TDP1PKM
SCHEMBL27632733 0.83 ALDH1A1 (0.57) HTTMAPK8LMNASMN1; SMN2TDP1
SCHEMBL2779685 0.83 MRGPRX4 (0.47) HTTCCR2LMNASMN1; SMN2TDP1
SCHEMBL7431657 0.82 CCR2 (0.50) HTTMAPK8CCR2LMNASMN1; SMN2
SCHEMBL2779965 0.82 ROCK2 (0.46) CCR2LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL2336930 0.81 LMNA (0.47) MAPK8CCR2LMNASMN1; SMN2TDP1

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-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 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-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R TP53 3639/4885HTT 3792/4885MAPK8 2016/4885

“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.