SCHEMBL4153260

SCHEMBL4153260

NC(=O)CCOc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CCR3 P51677 1/20 0.37
DRD3 P35462 1/20 0.37
CNR1 P21554 5/20 0.36
CNR2 P34972 5/20 0.36
DYRK1A Q13627 2/20 0.35
KDR P35968 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.34
NTRK1 P04629 1/20 0.34
WNT1 P04628 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL4153253 1.00 LMNA (0.38) LMNACCR3DRD3CNR1CNR2
SCHEMBL4147007 0.91 LMNA (0.39) LMNACCR3DRD3CNR1CNR2
SCHEMBL4147005 0.91 LMNA (0.39) LMNACCR3DRD3CNR1CNR2
SCHEMBL4153403 0.90 LMNA (0.39) LMNACCR3DRD3CNR1CNR2
SCHEMBL4153406 0.90 LMNA (0.39) LMNACCR3DRD3CNR1CNR2
SCHEMBL4139328 0.86 TRPA1 (0.32) DYRK1AKDRALDH1A1KDM4ENTRK1
SCHEMBL4139333 0.86 TRPA1 (0.32) DYRK1AKDRALDH1A1KDM4ENTRK1
SCHEMBL4152742 0.85 DRD3 (0.47) LMNACCR3DRD3CNR1CNR2
SCHEMBL4152746 0.85 DRD3 (0.47) LMNACCR3DRD3CNR1CNR2
SCHEMBL6428486 0.84 SCN9A (0.33) LMNAHPGD

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 3403/4885CCR3 675/4885DRD3 1139/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885CCR3 518/4885DRD3 1224/4885

“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.