SCHEMBL4155261

SCHEMBL4155261

COC(=O)c1ccc2c(c(I)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
NR4A2 P43354 3/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACSS2 Q9NR19 1/20 0.32
EGFR P00533 1/20 0.32
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ELANE P08246 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4152067 0.77 NPC1 (0.32)
SCHEMBL2861533 0.75 ELANE (0.35) MAPK1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL16213496 0.74 KDM4E (0.40) MAPK1MAPTALDH1A1KDM4EKMT2A
SCHEMBL4146423 0.74 MAPK1 (0.34) MAPK1MAPTL3MBTL1TDP1ACSS2
SCHEMBL4148977 0.74 TSHR (0.36) MAPK1MAPTALDH1A1KDM4EKMT2A
SCHEMBL875708 0.73 KCNA5 (0.44) MAPK1MAPTALDH1A1
SCHEMBL875386 0.71 MAPK1 (0.37) MAPK1ACSS2
SCHEMBL4157675 0.70 MAPK1 (0.38) MAPK1MAPTALDH1A1KDM4EHPGD
SCHEMBL4150201 0.70 SLC6A12 (0.39) KMT2AMEN1
SCHEMBL2861152 0.69 SLC6A3 (0.43) ALDH1A1L3MBTL1KDM4EKMT2AHPGD

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 MAPK1 7/4885MAPT 2811/4885ALDH1A1 2731/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885MAPT 3014/4885ALDH1A1 2713/4885

“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.