SCHEMBL5226517

SCHEMBL5226517

COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.76
RAB9A P51151 7/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
POLB P06746 1/20 0.76
ABCG2 Q9UNQ0 1/20 0.73
PKM P14618 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
F10 P00742 4/20 0.65
TP53 P04637 1/20 0.64
ALOX15 P16050 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RXFP1 Q9HBX9 2/20 0.64
PPARD Q03181 1/20 0.62
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
CA2 P00918 1/20 0.59
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59

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
SCHEMBL314038 0.89 F10 (0.77) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5223218 0.88 NR1H4 (0.73) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5223096 0.86 RAB9A (0.71) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5225155 0.86 NPC1 (0.71) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5226076 0.86 NPC1 (0.71) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5333909 0.86 RAB9A (0.86) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4086523 0.86 RAB9A (0.86) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5188942 0.86 NPC1 (1.00) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL5227999 0.85 NPC1 (0.69) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL14855681 0.84 F10 (0.72) NPC1RAB9AMEN1KMT2APOLB

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 NPC1 1618/4885RAB9A 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.