SCHEMBL6404783

SCHEMBL6404783

CC(C)(C)OC(=O)NCc1cccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.48
GLS O94925 9/20 0.41
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
HDAC1 Q13547 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
CCKBR P32239 1/20 0.35
RPS6KA2 Q15349 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
SCHEMBL6402784 0.87 F10 (0.52) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL5781909 0.87 F10 (0.51) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL5781951 0.84 F10 (0.51) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL6408829 0.83 F10 (0.46) F10GLSALDH1A1HPGDSMN1; SMN2
SCHEMBL6404276 0.83 F10 (0.43) F10GLSALDH1A1HPGDSMN1; SMN2
SCHEMBL5779457 0.83 F10 (0.50) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL5781766 0.83 F10 (0.50) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL13950091 0.83 BRD4 (0.43) ACHEALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5780091 0.82 F10 (0.48) F10ACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL3381035 0.82 F10 (0.51) F10ACHEALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933295-B2 Substituted isoindoles and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
US-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-06 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 (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-20050004207-A1 Nitrogen compounds such as N-(2-{4-[2-Amino-2-(hydroxyimino)ethyl]benzyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-5-chloro-2-thiophenecarboxamide, used as blood-coagulation factor Xa antogonists for prophylaxis of cardiovascular disorders F2, SERPINC1, F11 F10 4/4885GLS 1766/4885ACHE 207/4885

“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.