SCHEMBL5034262

SCHEMBL5034262

COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccncc3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 6/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX12 P18054 1/20 0.41
USP2 O75604 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5027629 0.93 ALDH1A1 (0.45) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL13927707 0.93 ALDH1A1 (0.45) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL6426831 0.91 TP53 (0.47) POLBALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL5030006 0.91 TDP1 (0.45) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL5032387 0.91 ALDH1A1 (0.43) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL5029955 0.91 SMN1; SMN2 (0.47) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL5032368 0.91 POLB (0.41) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL5027596 0.91 ATM (0.49) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL13927722 0.90 ALDH1A1 (0.44) POLBTDP1ALDH1A1HPGDLMNA
SCHEMBL6427375 0.89 POLB (0.41) POLBTDP1ALDH1A1HPGDLMNA

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 POLB 2798/4885TDP1 4520/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885TDP1 4458/4885ALDH1A1 2713/4885

“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.