SCHEMBL4149014

SCHEMBL4149014

COc1cccc(C(=O)NCc2cc3c(-c4ccc5ccccc5c4)n[nH]c3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.48
ROCK2 O75116 2/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
GAA P10253 3/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP13 P45452 1/20 0.45
DRD4 P21917 2/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LOX P28300 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
CSNK1D P48730 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PLK4 O00444 1/20 0.43

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
SCHEMBL4144980 0.85 HPGD (0.47) RAB9AMAPTTP53GAAHPGD
SCHEMBL4137031 0.84 S1PR5 (0.42) RAB9ASMN1; SMN2MAPTNPC1MAP4K4
SCHEMBL6426335 0.80 KMT2A (0.46) RAB9ASMN1; SMN2MAPTGAAHPGD
SCHEMBL5030016 0.80 TSHR (0.40) RAB9ASMN1; SMN2MAPTHPGDNPC1
SCHEMBL6427096 0.80 MAPT (0.47) RAB9ASMN1; SMN2MAPTTP53THRB
SCHEMBL2872869 0.79 ROCK2 (0.50) RAB9ASMN1; SMN2MAPTROCK2TP53
SCHEMBL2866831 0.79 CSNK1D (0.51) RAB9ASMN1; SMN2MAPTROCK2GAA
SCHEMBL14075027 0.78 GSK3B (0.44) HPGDKMT2ACDK2GSK3AGSK3B
SCHEMBL14087220 0.74 HPGD (0.44) RAB9ASMN1; SMN2MAPTROCK2TP53
SCHEMBL6427872 0.73 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2AGSK3B

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 6 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-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 RAB9A 1606/4885SMN1; SMN2 3886/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885SMN1; SMN2 3772/4885MAPT 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.