SCHEMBL6258773

SCHEMBL6258773

COc1ccc(NC(=O)c2sccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 1/20 0.65
MAPK10 P53779 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
TP53 P04637 3/20 0.59
ALOX15 P16050 2/20 0.59
TRPV1 Q8NER1 3/20 0.55
HDAC3 O15379 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL7304276 0.86 NPC1 (0.81) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL7301192 0.86 NPC1 (0.81) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL6170359 0.82 HPGD (0.75) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL5223218 0.80 NR1H4 (0.73) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL6169266 0.79 RAB9A (0.74) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL6799157 0.77 RAB9A (1.00) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL5226425 0.77 TP53 (0.62) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5222102 0.77 NR1H4 (0.64) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL28563499 0.77 MAPK1 (0.67) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL18739771 0.76 NPC1 (0.59) MAPTALDH1A1LMNAKDM4ENPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999834-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-10-12 EP disclosed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US disclosed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US disclosed
US-20020072531-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-06-13 US disclosed
US-20020049234-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-04-25 US disclosed
US-6313151-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-0999834-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-04-04 EP disclosed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP disclosed
WO-1999000126-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 (2 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-20020072531-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885ALDH1A1 323/4885LMNA 1410/4885
US-20020049234-A1 Antithrombotic agents SERPINC1, TFPI, F11 MAPT 4730/4885ALDH1A1 323/4885LMNA 1410/4885

“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.