SCHEMBL13927722

SCHEMBL13927722

COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX12 P18054 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL5030006 0.92 TDP1 (0.45) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL6426831 0.92 TP53 (0.47) ALDH1A1TSHRHSD17B10NPSR1POLB
SCHEMBL13927707 0.91 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL5027629 0.91 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL5031229 0.91 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL5029955 0.91 SMN1; SMN2 (0.47) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL5027596 0.91 ATM (0.49) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL5032368 0.91 POLB (0.41) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL5034262 0.90 POLB (0.42) ALDH1A1TSHRHSD17B10NPSR1GAA
SCHEMBL6427690 0.90 TDP1 (0.41) ALDH1A1TSHRHSD17B10NPSR1GAA

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-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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B ALDH1A1 2731/4885TSHR 814/4885HSD17B10 2096/4885

“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.