SCHEMBL4599382

SCHEMBL4599382

CC(C)(C)OC(=O)N1Cc2cccnc2CC1C(=O)N(F)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.35
F10 P00742 8/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SYK P43405 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL4598458 0.93 F10 (0.35) HDAC8F10MEN1KMT2ASYK
SCHEMBL3696448 0.81 MEN1 (0.36) F10MEN1KMT2ASYK
SCHEMBL4599376 0.79 F10 (0.56) F10
SCHEMBL4496276 0.77 UCHL1 (0.36) F10MEN1KMT2ASYK
SCHEMBL4961892 0.77 UCHL1 (0.48) F10SYK
SCHEMBL4597855 0.75 HDAC8 (0.43) HDAC8MEN1KMT2A
SCHEMBL4598659 0.73 SYK (0.34) F10MEN1KMT2ASYK
SCHEMBL21744471 0.73 PTPN1 (0.53) HDAC8MEN1KMT2A
SCHEMBL4598453 0.73 F10 (0.56) F10
SCHEMBL14097934 0.72 PTPN1 (0.53) HDAC8

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-7417144-B2 e.g. 1-Methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,5-dicarboxylic acid 5-[(4-chloro-phenyl)-amide]4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}; anticoagulant, antiinflammatory agent; thrombosis, peripheral arterial occlusive disease, stroke, arteriosclerosis, bypass grafting HOFFMAN-LA ROCHE INC. (US) 2008-08-26 US disclosed
EP-1907388-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-04-09 EP disclosed
WO-2007009883-A1 NOVEL HETEROARYL FUSED CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070015812-A1 Factor Xa inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-01-18 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-20070015812-A1 Factor Xa inhibitors F12, F11, F2 HDAC8 1659/4885F10 4/4885MEN1 268/4885

“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.