SCHEMBL5027596

SCHEMBL5027596

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
HPGD P15428 5/20 0.48
POLB P06746 5/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 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
SCHEMBL6426831 0.92 TP53 (0.47) HPGDPOLBL3MBTL1SMN1; SMN2MEN1
SCHEMBL5030006 0.92 TDP1 (0.45) HPGDPOLBL3MBTL1LMNASMN1; SMN2
SCHEMBL13927707 0.92 ALDH1A1 (0.45) HPGDPOLBL3MBTL1LMNASMN1; SMN2
SCHEMBL5027629 0.92 ALDH1A1 (0.45) HPGDPOLBL3MBTL1LMNASMN1; SMN2
SCHEMBL5032368 0.92 POLB (0.41) ATMHPGDPOLBL3MBTL1LMNA
SCHEMBL5029955 0.92 SMN1; SMN2 (0.47) HPGDPOLBL3MBTL1LMNASMN1; SMN2
SCHEMBL5030011 0.91 HPGD (0.45) ATMHPGDPOLBL3MBTL1LMNA
SCHEMBL6426237 0.91 HPGD (0.42) ATMHPGDPOLBL3MBTL1LMNA
SCHEMBL6427413 0.91 HPGD (0.44) ATMHPGDPOLBL3MBTL1LMNA
SCHEMBL13927722 0.91 ALDH1A1 (0.44) HPGDPOLBL3MBTL1LMNAMAPT

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 6 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
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 ATM 658/4885HPGD 1849/4885POLB 2798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B ATM 488/4885HPGD 2100/4885POLB 2534/4885

“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.