SCHEMBL4157510

SCHEMBL4157510

CNC(=O)NC1CCCC1.COc1c(C(=O)O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.35
CCR3 P51677 1/20 0.35
DRD3 P35462 1/20 0.35
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL4157486 0.99 CNR1 (0.38) CNR1CNR2KMT2AEPHX2LMNA
SCHEMBL4146147 0.98 CNR1 (0.37) CNR1CNR2KMT2AEPHX2LMNA
SCHEMBL4139706 0.97 CCR3 (0.36) CNR1CNR2EPHX2CCR3DRD3
SCHEMBL4150248 0.90 POLB (0.35) LMNADRD3RAB9ANPC1SMN1; SMN2
SCHEMBL4145954 0.88 CNR1 (0.46) CNR1CNR2KMT2ALMNADRD3
SCHEMBL4145950 0.88 CNR1 (0.46) CNR1CNR2KMT2ALMNADRD3
SCHEMBL4141120 0.86 DRD3 (0.46) CNR1CNR2KMT2ALMNADRD3
SCHEMBL4141124 0.86 DRD3 (0.46) CNR1CNR2KMT2ALMNADRD3
SCHEMBL4137389 0.86 NFE2L2 (0.38) KMT2ALMNARAB9ANPC1ALDH1A1
SCHEMBL4137384 0.86 NFE2L2 (0.38) KMT2ALMNARAB9ANPC1ALDH1A1

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 CNR1 192/4885CNR2 190/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CNR1 189/4885CNR2 191/4885KMT2A 741/4885

“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.