SCHEMBL4153616

SCHEMBL4153616

CCN(CC)C(=O)NC.COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
POLB P06746 2/20 0.34
KDR P35968 2/20 0.31
TRPA1 O75762 1/20 0.31
CHEK1 O14757 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4144223 0.90 MAOA (0.35) MAOAMAOBPOLBKDRTRPA1
SCHEMBL4150248 0.88 POLB (0.35) POLBKDRTRPA1CHEK1CCNA2
SCHEMBL4137384 0.88 NFE2L2 (0.38) KDRTRPA1CHEK1KDM4EALDH1A1
SCHEMBL4137389 0.88 NFE2L2 (0.38) KDRTRPA1CHEK1KDM4EALDH1A1
SCHEMBL4148215 0.87 POLB (0.35) POLBKDRTRPA1CHEK1CCNA2
SCHEMBL4145979 0.87 MAPK1 (0.35) MAOAMAOBPOLBKDRTRPA1
SCHEMBL4145455 0.85 KCNA3 (0.35) MAOAMAOBPOLBKDRTRPA1
SCHEMBL4141208 0.84 DRD2 (0.36) POLBKDM4EALDH1A1LMNAMAPT
SCHEMBL4153365 0.83 POLB (0.37) POLBKDRCHEK1CCNA2CDK2
SCHEMBL4153372 0.83 POLB (0.37) POLBKDRCHEK1CCNA2CDK2

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 MAOA 2221/4885MAOB 1861/4885POLB 2798/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAOA 2624/4885MAOB 2177/4885POLB 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.