SCHEMBL4145411

SCHEMBL4145411

C=CCNC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)cc3)c2c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.46
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
FLT3 P36888 1/20 0.37
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 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
SCHEMBL4145405 1.00 KDM4E (0.48) KDM4ETDP1PKMMTNR1AMTNR1B
SCHEMBL4137716 0.91 KDM4E (0.39) KDM4ETDP1PKMALDH1A1HPGD
SCHEMBL4137722 0.91 KDM4E (0.39) KDM4ETDP1PKMALDH1A1HPGD
SCHEMBL4154338 0.88 CHEK1 (0.46) KDM4ETDP1ALDH1A1HPGDMAPT
SCHEMBL4154343 0.88 CHEK1 (0.46) KDM4ETDP1ALDH1A1HPGDMAPT
SCHEMBL4156223 0.87 KDM4E (0.37) KDM4ETDP1PKMMTNR1AMTNR1B
SCHEMBL4156220 0.87 KDM4E (0.37) KDM4ETDP1PKMMTNR1AMTNR1B
SCHEMBL4145449 0.86 RAB9A (0.39) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL4145446 0.86 RAB9A (0.39) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL4161819 0.86 TUBB1 (0.43) KDM4ETDP1CHEK1CCNA2CDK2

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 KDM4E 2622/4885TDP1 4520/4885PKM 1426/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885TDP1 4458/4885PKM 1733/4885

“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.