SCHEMBL4057113

SCHEMBL4057113

c1ccc(Oc2n[nH]c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.60
KDM4E B2RXH2 5/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALPL P05186 1/20 0.50
IDO1 P14902 1/20 0.50
HPGD P15428 1/20 0.50
TTK P33981 1/20 0.50
MAPK10 P53779 1/20 0.50
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
PDPK1 O15530 1/20 0.48
CYP3A4 P08684 1/20 0.48
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL460612 0.88 RARG (0.68) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL31134461 0.76 CNR1 (0.59) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL1966860 0.76 CNR1 (0.59) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL516942 0.75 RARG (0.54) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL5943485 0.74 RARG (0.53) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL4193104 0.74 RARG (0.53) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL1563249 0.74 KDM4E (0.50) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL680699 0.74 MAPK8 (0.41) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL28880065 0.73 RARG (0.51) RARGKDM4EGAAALDH1A1ALPL
SCHEMBL4193108 0.72 RARG (0.50) RARGKDM4EGAAALDH1A1ALPL

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-7495015-B2 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC (US) 2009-02-24 US disclosed
EP-1747202-A1 INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F.HOFFMANN-LA ROCHE AG (CH) 2007-01-31 EP disclosed
US-20050215595-A1 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-29 US disclosed
WO-2005085206-A1 INDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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-20050215595-A1 Indazole derivatives and methods for using the same MAPK1, MAP3K1, MAP3K7 RARG 2409/4885KDM4E 3708/4885GAA 3782/4885

“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.