SCHEMBL6427690

SCHEMBL6427690

COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)nc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 6/20 0.40
HSD17B10 Q99714 5/20 0.40
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5034311 0.91 HPGD (0.42) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL6426237 0.90 HPGD (0.42) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL13927722 0.90 ALDH1A1 (0.44) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL5030006 0.88 TDP1 (0.45) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL6426831 0.88 TP53 (0.47) HPGDHSD17B10TSHRMAPTALDH1A1
SCHEMBL5027629 0.88 ALDH1A1 (0.45) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL13927707 0.88 ALDH1A1 (0.45) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL5032387 0.87 ALDH1A1 (0.43) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL5027596 0.87 ATM (0.49) TDP1HPGDHSD17B10TSHRMAPT
SCHEMBL5032368 0.87 POLB (0.41) TDP1HPGDHSD17B10TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TDP1 4458/4885PKM 1733/4885HPGD 2100/4885

“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.