SCHEMBL5223733

SCHEMBL5223733

COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.60
RAB9A P51151 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F2 P00734 1/20 0.51
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50

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
Hydrochloric Acid SCHEMBL5223873 0.88 KDM4E (0.51) F10RAB9APOLBNPC1ALDH1A1
Hydrochloric Acid SCHEMBL5221061 0.88 ME3 (0.59) F10POLBKDM4EF2
SCHEMBL5223104 0.87 RAB9A (0.57) F10RAB9AMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5222423 0.86 F10 (0.56) F10POLBHPGDNPSR1F2
Hydrochloric Acid SCHEMBL5225364 0.86 F10 (0.59) F10POLBHPGDNPSR1F2
Hydrochloric Acid SCHEMBL5225021 0.86 F10 (0.55) F10RAB9APOLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5225771 0.86 F10 (0.56) F10ALDH1A1NPSR1F2
Hydrochloric Acid SCHEMBL5223652 0.86 F10 (0.55) F10POLBKDM4EF2
Hydrochloric Acid SCHEMBL5224970 0.86 F10 (0.55) F10POLBALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL5314777 0.84 F10 (0.56) F10MEN1KMT2APOLBALDH1A1

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 F10 12/4885RAB9A 2658/4885MEN1 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.