SCHEMBL4150201

SCHEMBL4150201

C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C(=O)NC3CC3)c(OC)c12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.39
SIGMAR1 Q99720 9/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KLK7 P49862 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4146423 0.85 MAPK1 (0.34)
SCHEMBL13927789 0.82 HTR3A (0.40) SLC6A12SIGMAR1CNR1CNR2DRD3
SCHEMBL6427686 0.80 MAPK1 (0.37)
SCHEMBL4148977 0.80 TSHR (0.36) MEN1KMT2A
SCHEMBL4140200 0.73 IMPDH2 (0.32)
SCHEMBL4155261 0.70 MAPK1 (0.36) MEN1KMT2A
SCHEMBL4145498 0.68 MCHR1 (0.37) MEN1KMT2A
SCHEMBL4146358 0.68 NFE2L2 (0.38) MEN1KMT2A
SCHEMBL4146353 0.68 NFE2L2 (0.38) MEN1KMT2A
SCHEMBL4140646 0.67 KDM4E (0.46) SLC6A12SIGMAR1CNR1CNR2DRD3

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 SLC6A12 4548/4885SIGMAR1 1237/4885CNR1 192/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SLC6A12 4640/4885SIGMAR1 1486/4885CNR1 189/4885

“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.