SCHEMBL4145457

SCHEMBL4145457

CCCNC(=O)COC(=O)c1ccc2c(c(C=Cc3ccc(F)cc3)nn2C(N)=O)c1OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
KCNA3 P22001 1/20 0.34
LMNA P02545 1/20 0.33
GBA1 P04062 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4141209 0.95 CYP1A2 (0.39) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL4145987 0.94 POLB (0.37) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL4150253 0.90 POLB (0.44) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL4148222 0.88 CTSL (0.32) POLBKMT2APKMLMNA
SCHEMBL4139709 0.86 ATM (0.40) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL4153621 0.85 ALDH1A1 (0.33) KMT2AKDM4EALDH1A1GAALMNA
SCHEMBL4157511 0.85 ATM (0.44) KMT2AKDM4EALDH1A1LMNA
SCHEMBL4146151 0.85 ATM (0.42) KMT2AKDM4EALDH1A1PKMLMNA
SCHEMBL4144229 0.85 MEN1 (0.32) POLBKMT2AKDM4EALDH1A1GAA
SCHEMBL4157489 0.84 ATM (0.44) KMT2AKDM4EALDH1A1LMNA

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 5 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-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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 2798/4885KMT2A 810/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B POLB 2534/4885KMT2A 741/4885KDM4E 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.