SCHEMBL4850116

SCHEMBL4850116

Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2cnc(N3CCNCC3)cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.56
HDAC3 O15379 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC1 Q13547 1/20 0.49

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
SCHEMBL5205288 0.97 F10 (0.58) F10HDAC3HDAC2
SCHEMBL4848811 0.93 F10 (0.64) F10HDAC3HDAC2HDAC1
SCHEMBL5239546 0.90 F10 (0.51) F10HDAC3HDAC2HDAC1
SCHEMBL14394839 0.90 F10 (0.58) F10HDAC3HDAC2
SCHEMBL5204077 0.89 F10 (0.66) F10
SCHEMBL5205350 0.87 F10 (0.65) F10
SCHEMBL5204195 0.86 F10 (0.58) F10HDAC3HDAC2HDAC1
SCHEMBL5207879 0.85 F10 (0.58) F10
SCHEMBL5201641 0.85 F10 (0.63) F10
SCHEMBL4860738 0.84 F10 (0.49) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1456175-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 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-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity F11, SERPINC1, TFPI F10 15/4885HDAC3 130/4885HDAC2 163/4885

“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.