SCHEMBL5222017

SCHEMBL5222017

COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)C2CCN(Cc3ccncc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
F10 P00742 2/20 0.49
ACKR3 P25106 5/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
CCR5 P51681 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5223237 0.81 ALDH1A1 (0.49) KMT2AMEN1POLBSMN1; SMN2
SCHEMBL5226670 0.78 ENPP2 (0.56) SMN1; SMN2
Hydrochloric Acid SCHEMBL5222423 0.76 F10 (0.56) F10POLB
SCHEMBL5223733 0.74 F10 (0.60) F10KMT2AMEN1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5224970 0.74 F10 (0.55) F10POLB
SCHEMBL14456742 0.72 MEN1 (0.60) KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6172046 0.72 RXFP2 (0.54) F10
SCHEMBL1554165 0.71 F10 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15853659 0.71 HIF1A (0.69) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL5225364 0.71 F10 (0.59) F10POLB

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 PRKAB2 4227/4885PRKAG1 4246/4885PRKAA2 3714/4885

“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.