SCHEMBL5223663

SCHEMBL5223663

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
ACHE P22303 3/20 0.43
LTA4H P09960 1/20 0.43
DRD4 P21917 2/20 0.43
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR4 Q13639 1/20 0.42

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
SCHEMBL7243422 0.90 ACKR3 (0.49) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL5223734 0.88 CHRM4 (0.51) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL7246833 0.88 ACKR3 (0.48) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL5228580 0.86 ACKR3 (0.44) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL5226525 0.86 PRKAB2 (0.52) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL5224692 0.86 CYP3A4 (0.48) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL5225093 0.85 USP2 (0.50) ACKR3KMT2AMEN1PRKAB2PRKAG1
SCHEMBL7242645 0.85 MCHR1 (0.53) KMT2AMCHR1SMN1; SMN2
SCHEMBL7251452 0.85 RAB9A (0.53) ACKR3KMT2AMEN1LTA4HSMN1; SMN2
SCHEMBL7243729 0.85 ALDH1A1 (0.50) ACKR3KMT2AMEN1PRKAB2PRKAG1

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 ACKR3 3090/4885KMT2A 2083/4885MEN1 1119/4885

“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.