SCHEMBL5030006

SCHEMBL5030006

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 3/20 0.44
TSHR P16473 4/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX12 P18054 1/20 0.41
CTDSP1 Q9GZU7 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 0.93 TP53 (0.47) L3MBTL1POLBTSHRHSD17B10KDM4E
SCHEMBL13927707 0.93 ALDH1A1 (0.45) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL5027629 0.93 ALDH1A1 (0.45) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL5029955 0.92 SMN1; SMN2 (0.47) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL5027596 0.92 ATM (0.49) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL5032368 0.92 POLB (0.41) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL13927722 0.92 ALDH1A1 (0.44) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL5034262 0.91 POLB (0.42) TDP1POLBTSHRHSD17B10KDM4E
SCHEMBL5034311 0.90 HPGD (0.42) TDP1L3MBTL1POLBTSHRHSD17B10
SCHEMBL6427375 0.89 POLB (0.41) TDP1POLBTSHRHSD17B10KDM4E

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 TDP1 4520/4885L3MBTL1 4568/4885POLB 2798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TDP1 4458/4885L3MBTL1 4095/4885POLB 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.