SCHEMBL4276753

SCHEMBL4276753

COc1cccc(CN(c2ccc(F)c(Cl)c2)C(C)C(=O)O)c1.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 1/20 0.49
PTGES O14684 2/20 0.41
ALOX5 P09917 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
DPP4 P27487 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CETP P11597 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4276761 1.00 MEN1 (0.49) MEN1KMT2AMAPTPTGESALOX5
SCHEMBL4268250 0.99 MEN1 (0.50) MEN1KMT2AMAPTPTGESALOX5
SCHEMBL4268251 0.99 MEN1 (0.50) MEN1KMT2AMAPTPTGESALOX5
SCHEMBL4273306 0.90 MEN1 (0.49) MEN1KMT2AMAPTPTGESALOX5
SCHEMBL4273311 0.90 MEN1 (0.49) MEN1KMT2AMAPTPTGESALOX5
Lithium Ion SCHEMBL4276756 0.89 MEN1 (0.46) MEN1KMT2AMAPTPTGESALOX5
SCHEMBL4270769 0.87 UBE2M (0.42) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4270761 0.87 UBE2M (0.42) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4268261 0.85 UBE2M (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4268265 0.85 UBE2M (0.43) MEN1KMT2AALDH1A1LMNAKDM4E

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-7608739-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-10-27 US disclosed
US-20080234281-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-09-25 US disclosed
EP-1730099-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2008-03-12 EP disclosed
EP-1730099-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005092011-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-10-06 WO 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 (1 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-20080234281-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B MEN1 2079/4885KMT2A 302/4885MAPT 252/4885

“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.