SCHEMBL4148222

SCHEMBL4148222

COc1c(C(=O)OCC(N)=O)ccc2c1c(C=Cc1ccc(F)cc1)nn2C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 2/20 0.31
NFE2L2 Q16236 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
ENPP2 Q13822 1/20 0.30

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
SCHEMBL4144229 0.91 MEN1 (0.32) CTSLSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL4150253 0.91 POLB (0.44) LMNAPOLBKMT2AMEN1PKM
SCHEMBL4153621 0.90 ALDH1A1 (0.33) SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4145987 0.90 POLB (0.37) LMNAPOLBKMT2AMEN1PKM
SCHEMBL4145190 0.88 ENPP2 (0.31) CTSLENPP2
SCHEMBL4145457 0.88 POLB (0.40) LMNAPOLBKMT2APKM
SCHEMBL4136502 0.88 HTR4 (0.33) CTSLKMT2AMEN1
SCHEMBL4139709 0.87 ATM (0.40) LMNAPOLBKMT2AMEN1PKM
SCHEMBL4141209 0.87 CYP1A2 (0.39) LMNAPOLBKMT2AMEN1PKM
SCHEMBL4146151 0.86 ATM (0.42) LMNAKMT2AMEN1PKM

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 CTSL 4560/4885SMN1; SMN2 3886/4885LMNA 3403/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CTSL 4660/4885SMN1; SMN2 3772/4885LMNA 3498/4885

“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.