SCHEMBL4157518

SCHEMBL4157518

COc1c(C(=O)NCC(=O)NC2CCCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 6/20 0.38
CNR2 P34972 6/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL4157509 1.00 DRD3 (0.40) DRD3RAB9AMAPTLMNATP53
SCHEMBL4157485 0.99 CNR1 (0.40) DRD3RAB9AMAPTLMNATP53
SCHEMBL4157491 0.99 CNR1 (0.40) DRD3RAB9AMAPTLMNATP53
SCHEMBL4146156 0.98 DRD3 (0.40) DRD3RAB9AMAPTLMNATP53
SCHEMBL4146144 0.98 DRD3 (0.40) DRD3RAB9AMAPTLMNATP53
SCHEMBL4139702 0.97 DRD3 (0.41) DRD3RAB9AMAPTLMNATP53
SCHEMBL4139714 0.97 DRD3 (0.41) DRD3RAB9AMAPTLMNATP53
SCHEMBL4145954 0.91 CNR1 (0.46) DRD3RAB9ALMNAALDH1A1HPGD
SCHEMBL4145950 0.91 CNR1 (0.46) DRD3RAB9ALMNAALDH1A1HPGD
SCHEMBL4141124 0.89 DRD3 (0.46) DRD3RAB9ALMNAALDH1A1HPGD

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 DRD3 1139/4885RAB9A 1606/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885RAB9A 1726/4885MAPT 3014/4885

“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.