SCHEMBL5223237

SCHEMBL5223237

COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)C2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.48
NAMPT P43490 1/20 0.48
POLB P06746 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM4 Q14833 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8199064 0.82 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2RAB9APOLBMTNR1A
SCHEMBL5222017 0.81 PRKAB2 (0.49) SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5226670 0.79 ENPP2 (0.56) ALDH1A1SMN1; SMN2RAB9AHTTNPC1
SCHEMBL17513015 0.75 GRM4 (0.53) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL15528530 0.75 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL12035201 0.75 KDM4E (0.57) ALDH1A1SMN1; SMN2RAB9AMTNR1AMTNR1B
SCHEMBL5229003 0.75 NR1H4 (0.68) ALDH1A1SMN1; SMN2RAB9APOLBMEN1
SCHEMBL5225377 0.74 POLB (0.56) ALDH1A1SMN1; SMN2RAB9APOLBMTNR1A
SCHEMBL5225621 0.74 F10 (0.66) ALDH1A1SMN1; SMN2RAB9APOLBMEN1
Tert-Butyl Formate SCHEMBL28033419 0.73 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2RAB9APOLBMTNR1A

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 ALDH1A1 835/4885SMN1; SMN2 2752/4885RAB9A 2658/4885

“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.