SCHEMBL5226670

SCHEMBL5226670

COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GLA P06280 1/20 0.53
HTT P42858 1/20 0.51
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
MAPT P10636 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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 0.79 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL11750711 0.76 ENPP2 (0.78) ENPP2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2899016 0.73 SMN1; SMN2 (0.74) ENPP2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL14855373 0.72 ENPP2 (0.63) ENPP2SMN1; SMN2NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL5681091 0.72 ENPP2 (0.66) ENPP2SMN1; SMN2NPC1RAB9AGLA
SCHEMBL20805905 0.72 MAPT (0.74) SMN1; SMN2RAB9AGLAHTTACHE
SCHEMBL206204 0.72 SMN1; SMN2 (0.62) ENPP2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2306241 0.71 SMN1; SMN2 (0.68) ENPP2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL2476561 0.71 ENPP2 (0.70) ENPP2SMN1; SMN2NPC1RAB9AHTT
SCHEMBL15528530 0.71 ALDH1A1 (0.72) SMN1; SMN2RAB9AALDH1A1KDM4ELMNA

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 ENPP2 330/4885SMN1; SMN2 2752/4885NPC1 1618/4885

“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.