SCHEMBL5023841

SCHEMBL5023841

Cn1nc(-c2ccc(Cl)c(Cl)c2)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
KMO O15229 6/20 0.42
SIGMAR1 Q99720 1/20 0.40
F2RL3 Q96RI0 1/20 0.40
AHR P35869 1/20 0.39
PHGDH O43175 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP11B1 P15538 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAP3K14 Q99558 1/20 0.36

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
SCHEMBL14648842 0.86 KCNH2 (0.45) KCNH2KMOSIGMAR1F2RL3AHR
SCHEMBL5025698 0.84 MAPT (0.47) KCNH2KMT2ACYP11B1HSD11B1CYP1A2
SCHEMBL29894745 0.78 DYRK1B (0.42) CYP11B1HSD11B1
SCHEMBL4806553 0.77 RPA1 (0.48) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL15635313 0.77 CYP11B1 (0.57) PHGDHKMT2ACYP11B1HSD11B1MAPT
SCHEMBL3223296 0.77 KMT2A (0.49) KMOSIGMAR1F2RL3AHRKMT2A
SCHEMBL11962167 0.76 MEN1 (0.49) PHGDHKMT2AMAPT
SCHEMBL4685144 0.74 TLR8 (0.42) SIGMAR1F2RL3CYP11B1HSD11B1
SCHEMBL2555009 0.74 KMO (0.50) KMOPHGDHKMT2A
SCHEMBL13062641 0.73 MAPT (0.43) KCNH2KMOSIGMAR1F2RL3AHR

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 KCNH2 2025/4885KMO 1879/4885SIGMAR1 495/4885

“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.