SCHEMBL5228580

SCHEMBL5228580

COc1ccc(C(=O)c2cccc(N)c2NC(=O)C2CCN(Cc3ccc(O)cc3Cl)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACHE P22303 3/20 0.42
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
MGLL Q99685 1/20 0.40

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 0.89 ACKR3 (0.49) ACKR3KMT2AMEN1KDM4ECYP3A4
SCHEMBL5223663 0.86 ACKR3 (0.51) ACKR3KMT2AMEN1ACHEPRKAB2
SCHEMBL5223734 0.86 CHRM4 (0.51) ACKR3KMT2AMEN1ACHEPRKAB2
SCHEMBL5227303 0.85 CYP2D6 (0.49) ACKR3KMT2AMEN1KDM4ECYP3A4
SCHEMBL5224692 0.83 CYP3A4 (0.48) ACKR3KMT2AMEN1CYP3A4CYP2C9
SCHEMBL7246833 0.83 ACKR3 (0.48) ACKR3KMT2AMEN1ACHEPRKAB2
SCHEMBL5224150 0.82 ACHE (0.46) ACKR3KMT2AMEN1KDM4ECYP3A4
SCHEMBL7251452 0.82 RAB9A (0.53) ACKR3KMT2AMEN1KDM4EALDH1A1
SCHEMBL7244579 0.82 KMT2A (0.47) ACKR3KMT2AKDM4ECYP3A4CYP2C9
SCHEMBL5226525 0.82 PRKAB2 (0.52) ACKR3KMT2AMEN1KDM4EACHE

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.