SCHEMBL5025698

SCHEMBL5025698

Cn1nc(-c2ccc(Cl)cc2)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
NOTUM Q6P988 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
CYP11B1 P15538 3/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 1/20 0.42
HSD11B1 P28845 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
CYP11B2 P19099 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL14035666 0.85 MAPT (0.48) MAPTPOLBNOTUMNPC1RAB9A
SCHEMBL5023841 0.84 KCNH2 (0.44) MAPTCYP11B1KCNH2HSD11B1KMT2A
SCHEMBL4677891 0.83 NOTUM (0.45) MAPTPOLBNOTUMNPC1RAB9A
SCHEMBL15635313 0.83 CYP11B1 (0.57) MAPTPOLBNOTUMRAB9ACYP11B1
SCHEMBL11962167 0.82 MEN1 (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4685144 0.80 TLR8 (0.42) CYP11B1HSD11B1LMNACYP11B2ALDH1A1
SCHEMBL1716280 0.77 MAPT (0.50) MAPTPOLBNOTUMNPC1RAB9A
SCHEMBL14694258 0.77 MAPT (0.49) MAPTPOLBNOTUMNPC1RAB9A
SCHEMBL14290094 0.76 MAPT (0.44) MAPTPOLBNPC1RAB9ACYP11B1
SCHEMBL508428 0.76 MAPT (0.45) MAPTCYP1A2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
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
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MAPT 3559/4885POLB 2066/4885NOTUM 1118/4885

“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.