SCHEMBL5098112

SCHEMBL5098112

CCc1c(-c2ccc(Cl)cc2)nn(C)c1C(O)c1c(CC)c(-c2ccc(Cl)cc2)nn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.42
PDE7A Q13946 2/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
CRHR1 P34998 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL27676185 0.81 GRIA2 (0.44) RECQLKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5027055 0.78 SMN1; SMN2 (0.40) RECQLPDE7AKDM4EALDH1A1HSD17B10
SCHEMBL5023848 0.74 GABRA2 (0.48) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL26132790 0.72 KMT2A (0.39) RECQLPDE7AKDM4EALDH1A1HSD17B10
SCHEMBL12871759 0.70 CRHR1 (0.44) PDE7AALDH1A1CRHR1PDE4DNOTUM
SCHEMBL12871462 0.70 CRHR1 (0.46) RECQLPDE7AKDM4EALDH1A1HSD17B10
SCHEMBL12871872 0.69 CRHR1 (0.46) PDE7AALDH1A1CRHR1PDE4DNOTUM
SCHEMBL14191068 0.67 NPSR1 (0.66) RECQLALDH1A1HSD17B10TDP1NPSR1
SCHEMBL5216614 0.67 ESR1 (0.54) KDM4EHSD17B10TSHRNPSR1CYP1A2
SCHEMBL10172743 0.67 SMN1; SMN2 (0.48) RECQLKDM4EALDH1A1HPGDTDP1

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 3 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
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 RECQL 1006/4885PDE7A 696/4885KDM4E 2145/4885

“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.