SCHEMBL6426430

SCHEMBL6426430

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4ccco4)c(OC)c23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 4/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6426399 0.94 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL6427413 0.94 HPGD (0.44) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL5034326 0.90 HPGD (0.44) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL5027596 0.90 ATM (0.49) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL5030011 0.89 HPGD (0.45) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL6426237 0.87 HPGD (0.42) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4145300 0.87 HPGD (0.50) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4145292 0.87 HPGD (0.50) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL5030006 0.87 TDP1 (0.45) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL6426831 0.87 TP53 (0.47) ALDH1A1HPGDKDM4EPOLBL3MBTL1

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 ALDH1A1 2731/4885HPGD 1849/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ALDH1A1 2713/4885HPGD 2100/4885KDM4E 2795/4885

“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.