SCHEMBL5023848

SCHEMBL5023848

CCOC(=O)c1c(CC)c(-c2ccc(Cl)cc2)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 4/20 0.48
GABRB2 P47870 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
IDO1 P14902 1/20 0.45
ALPL P05186 1/20 0.44
KMT2A Q03164 1/20 0.44
TARBP2 Q15633 1/20 0.44
MAPT P10636 2/20 0.44
SLC34A1 Q06495 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPM8 Q7Z2W7 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
SCHEMBL5023330 0.87 SLC34A1 (0.49) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL27676185 0.84 GRIA2 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL28906195 0.82 CYP1A2 (0.49) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL5022955 0.80 CYP19A1 (0.52) GABRA2GABRB2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1912785 0.76 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL31467458 0.74 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2NPSR1TP53
SCHEMBL5098112 0.74 RECQL (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL22506641 0.74 SLC34A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL5023771 0.74 CNR1 (0.55) GABRA2GABRB2TP53ALPLKMT2A
SCHEMBL23283712 0.73 CYP1A2 (0.55) GABRA2GABRB2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG GABRA2 1307/4885GABRB2 1156/4885CYP1A2 184/4885

“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.