SCHEMBL4136174

SCHEMBL4136174

CCOC(=O)c1ccc2[nH]nc(C=Cc3ccc(F)c(F)c3)c2c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.37
TUBB1 Q9H4B7 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP9 P14780 1/20 0.35
MCL1 Q07820 1/20 0.35
FNTA P49354 3/20 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
SCHEMBL4136172 1.00 NPC1 (0.38) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL4155836 0.93 TUBB1 (0.46) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL4159908 0.93 MEN1 (0.42) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL4155832 0.93 TUBB1 (0.46) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL4159906 0.93 MEN1 (0.42) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL5027604 0.92 NPC1 (0.36) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL5027600 0.92 NPC1 (0.36) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL13927745 0.89 LMNA (0.39) NPC1L3MBTL1MEN1KMT2AATM
SCHEMBL4149953 0.87 CHEK1 (0.46) HTTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL4149958 0.87 CHEK1 (0.46) HTTALDH1A1HPGDKDM4ECYP1A2

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 NPC1 3183/4885L3MBTL1 4568/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NPC1 3703/4885L3MBTL1 4095/4885MEN1 4470/4885

“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.