SCHEMBL5222681

SCHEMBL5222681

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.42
USP2 O75604 2/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ACKR3 P25106 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WNT1 P04628 2/20 0.41

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
SCHEMBL7244579 0.88 KMT2A (0.47) CYP3A4KDM4ECYP2C9CYP2C19ALDH1A1
SCHEMBL5223734 0.86 CHRM4 (0.51) KMT2AACHESMN1; SMN2ACKR3
SCHEMBL7243422 0.85 ACKR3 (0.49) CYP3A4KDM4ECYP2C9CYP2C19KMT2A
SCHEMBL5224150 0.85 ACHE (0.46) CYP3A4KDM4ECYP2C9CYP2C19MAPK1
SCHEMBL5225392 0.84 ALDH1A1 (0.50) KDM4ECYP2C19CYP2D6ALDH1A1KMT2A
SCHEMBL5224692 0.84 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6KMT2AACHE
SCHEMBL7246833 0.84 ACKR3 (0.48) KMT2AACHEACKR3
SCHEMBL5227303 0.84 CYP2D6 (0.49) CYP3A4KDM4ECYP2C9CYP2C19CYP2D6
SCHEMBL5226525 0.83 PRKAB2 (0.52) KDM4EKMT2AACHEBACE1HIF1A
SCHEMBL7249950 0.83 ACKR3 (0.45) CYP3A4KDM4ECYP2C9CYP2C19KMT2A

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 CYP3A4 580/4885KDM4E 2237/4885CYP2C9 254/4885

“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.