SCHEMBL4928919

SCHEMBL4928919

COC(=O)C(=O)CC(=O)c1ccc(OC)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.57
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ACACB O00763 1/20 0.42
GRIN2B Q13224 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PABPC1 P11940 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5271037 0.83 HDAC1 (0.51) KMT2AMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL2186062 0.80 NNMT (0.64) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL30543017 0.80 NNMT (0.64) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL31081383 0.79 NNMT (0.54) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL23149740 0.79 NNMT (0.54) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL29786256 0.79 NNMT (0.62) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL1535155 0.79 NNMT (0.62) NNMTMKNK1MKNK2MEN1KMT2A
Hydrochloric Acid SCHEMBL30461874 0.79 NNMT (0.62) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL21741497 0.79 NNMT (0.62) NNMTMKNK1MKNK2MEN1KMT2A
SCHEMBL9670872 0.79 NNMT (0.62) NNMTMKNK1MKNK2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 NNMT 997/4885MKNK1 3178/4885MKNK2 2603/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 NNMT 4117/4885MKNK1 3691/4885MKNK2 2878/4885

“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.