SCHEMBL5223734

SCHEMBL5223734

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.51
LTA4H P09960 1/20 0.51
SCN4A P35499 2/20 0.50
ACKR3 P25106 2/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SLC18A3 Q16572 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7251452 0.94 RAB9A (0.53) LTA4HACKR3SIGMAR1MEN1KMT2A
SCHEMBL7243422 0.93 ACKR3 (0.49) CHRM4LTA4HACKR3BCHEACHE
SCHEMBL7246833 0.92 ACKR3 (0.48) CHRM4LTA4HACKR3BCHEACHE
SCHEMBL5224692 0.92 CYP3A4 (0.48) LTA4HACKR3ACHEMEN1KMT2A
SCHEMBL5226525 0.91 PRKAB2 (0.52) LTA4HACKR3ACHEMEN1KMT2A
SCHEMBL5225093 0.90 USP2 (0.50) LTA4HACKR3ACHEMEN1KMT2A
SCHEMBL7251743 0.90 KMT2A (0.52) ACKR3ACHESLC18A3MEN1KMT2A
SCHEMBL7243729 0.89 ALDH1A1 (0.50) LTA4HACKR3ACHEMEN1KMT2A
SCHEMBL7249950 0.89 ACKR3 (0.45) CHRM4LTA4HACKR3BCHEACHE
SCHEMBL5227303 0.89 CYP2D6 (0.49) ACKR3BCHEACHEMEN1KMT2A

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
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 CHRM4 4812/4885LTA4H 903/4885SCN4A 1704/4885

“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.