SCHEMBL4135959

SCHEMBL4135959

CCOC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OCCC(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 2/20 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
SCHEMBL4135965 1.00 LMNA (0.35) LMNAMAPTNPSR1MEN1CYP1A2
SCHEMBL4146508 0.90 ALDH1A1 (0.37) LMNAMAPTNPSR1MEN1CYP1A2
SCHEMBL4146502 0.90 ALDH1A1 (0.37) LMNAMAPTNPSR1MEN1CYP1A2
SCHEMBL4139328 0.88 TRPA1 (0.32) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4139333 0.88 TRPA1 (0.32) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13927745 0.86 LMNA (0.39) LMNAMAPTNPSR1MEN1CYP1A2
SCHEMBL4144214 0.84 ALDH1A1 (0.42) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL4144216 0.84 ALDH1A1 (0.42) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL6428486 0.83 SCN9A (0.33) LMNAHPGDJAK2
SCHEMBL4149287 0.82 LMNA (0.41) LMNAMAPTNPSR1MEN1CYP1A2

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 LMNA 3403/4885MAPT 2811/4885NPSR1 1749/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885MAPT 3014/4885NPSR1 2210/4885

“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.