SCHEMBL4157491

SCHEMBL4157491

COc1c(C(=O)NCC(=O)NC2CCCCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
CNR2 P34972 7/20 0.40
LMNA P02545 2/20 0.40
DRD3 P35462 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4157485 1.00 CNR1 (0.40) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4157518 0.99 DRD3 (0.40) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4157509 0.99 DRD3 (0.40) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4146156 0.98 DRD3 (0.40) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4146144 0.98 DRD3 (0.40) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4139702 0.96 DRD3 (0.41) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4139714 0.96 DRD3 (0.41) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4145950 0.90 CNR1 (0.46) CNR1CNR2LMNADRD3KMT2A
SCHEMBL4145954 0.90 CNR1 (0.46) CNR1CNR2LMNADRD3KMT2A
SCHEMBL13927858 0.90 RAB9A (0.39) KMT2ARAB9AALDH1A1POLBHPGD

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 190/4885LMNA 3403/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CNR1 189/4885CNR2 191/4885LMNA 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.