SCHEMBL76353

SCHEMBL76353

O=C(Nc1ccc(N2CCOCC2=O)c(C(F)(F)F)c1)C1CCCN1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
RHOC P08134 1/20 0.51
RHOA P61586 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR1 P32246 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL76352 1.00 F10 (0.54) F10RHOCRHOAL3MBTL1TSHR
SCHEMBL76509 0.89 F10 (0.56) F10RHOCRHOAL3MBTL1TSHR
SCHEMBL76510 0.89 F10 (0.56) F10RHOCRHOAL3MBTL1TSHR
SCHEMBL76586 0.88 F10 (0.57) F10L3MBTL1TSHRMEN1KMT2A
SCHEMBL76587 0.88 F10 (0.57) F10L3MBTL1TSHRMEN1KMT2A
SCHEMBL76669 0.88 F10 (0.57) F10L3MBTL1TSHRMEN1KMT2A
SCHEMBL76845 0.86 F10 (0.56) F10L3MBTL1TSHRMEN1KMT2A
SCHEMBL76844 0.86 F10 (0.56) F10L3MBTL1TSHRMEN1KMT2A
SCHEMBL76591 0.84 F10 (0.73) F10L3MBTL1
SCHEMBL76107 0.84 F10 (0.73) F10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US claimed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US claimed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US claimed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885RHOC 3122/4885RHOA 2693/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885RHOC 2392/4885RHOA 1393/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885RHOC 3122/4885RHOA 2693/4885

“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.