SCHEMBL4151301

SCHEMBL4151301

CCOC(=O)c1ccc2[nH]nc(C=Cc3ccc(F)cc3F)c2c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NPC1 O15118 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
ADORA2B P29275 2/20 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
SCHEMBL4151294 1.00 TSHR (0.42) TSHRMAPTRAB9APOLBMEN1
SCHEMBL4159417 0.87 CHEK1 (0.36) RAB9ANPC1ALDH1A1KDM4EMAPK1
SCHEMBL4159420 0.87 CHEK1 (0.36) RAB9ANPC1ALDH1A1KDM4EMAPK1
SCHEMBL13927745 0.86 LMNA (0.39) TSHRMAPTRAB9APOLBMEN1
SCHEMBL4136174 0.84 NPC1 (0.38) MAPTRAB9APOLBMEN1KMT2A
SCHEMBL4136172 0.84 NPC1 (0.38) MAPTRAB9APOLBMEN1KMT2A
SCHEMBL4159908 0.82 MEN1 (0.42) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL4155832 0.82 TUBB1 (0.46) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL4155836 0.82 TUBB1 (0.46) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL4159906 0.82 MEN1 (0.42) MAPTPOLBMEN1KMT2ANPC1

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 TSHR 814/4885MAPT 2811/4885RAB9A 1606/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TSHR 992/4885MAPT 3014/4885RAB9A 1726/4885

“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.