SCHEMBL6426237

SCHEMBL6426237

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALOX12 P18054 1/20 0.39

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 0.92 HPGD (0.42) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL5027596 0.91 ATM (0.49) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL6427690 0.90 TDP1 (0.41) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL6427413 0.89 HPGD (0.44) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL6426831 0.88 TP53 (0.47) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL5030006 0.88 TDP1 (0.45) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL13927707 0.88 ALDH1A1 (0.45) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL5027629 0.88 ALDH1A1 (0.45) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL5032387 0.88 ALDH1A1 (0.43) HPGDPOLBMAPTSMN1; SMN2HSD17B10
SCHEMBL5032368 0.88 POLB (0.41) HPGDPOLBMAPTSMN1; SMN2HSD17B10

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
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HPGD 1849/4885POLB 2798/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGD 2100/4885POLB 2534/4885MAPT 3014/4885

“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.