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SCHEMBL840752

SCHEMBL840752

COC(=O)c1cncc(Oc2ccc(C(C)NC(=O)CC(=O)Nc3ccc(C#N)cc3)cc2Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ IDO1 P14902 2/20 0.35
▸ F7 P08709 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 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
SCHEMBL860993 0.88 F7 (0.39) KMT2AMEN1MAPTGAAF7
SCHEMBL3642780 0.88 F7 (0.40) KMT2AMEN1MAPTALDH1A1F7
SCHEMBL840751 0.83 FFAR1 (0.40) FFAR1KMT2AMEN1MAPTGAA
SCHEMBL841460 0.81 F7 (0.45) F7F2
SCHEMBL840797 0.81 FFAR1 (0.40) FFAR1KMT2AMEN1MAPTGAA
SCHEMBL860642 0.81 F7 (0.38) MAPTGAAF7F2
SCHEMBL860757 0.80 F7 (0.47) F7F2
SCHEMBL3639995 0.80 PTGER4 (0.39) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL860307 0.80 F7 (0.47) F7F2
Hydrochloric Acid SCHEMBL840160 0.80 PTGER4 (0.38) KMT2AMEN1MAPTALDH1A1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 — — EP disclosed
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 — — EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 — — US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 — — US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 — — US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 — — US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 — — EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 — — 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI FFAR1 2630/4885XDH 741/4885KMT2A 1346/4885

“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.