SCHEMBL1929100

SCHEMBL1929100

O=C1c2cc[c]cc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CDC25B P30305 2/20 0.55
S100A4 P26447 3/20 0.52
TDP2 O95551 3/20 0.52
PTPRC P08575 3/20 0.52
MAPK1 P28482 3/20 0.52
MAOA P21397 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
APAF1 O14727 2/20 0.52
NPC1 O15118 2/20 0.52
PLA2G1B P04054 2/20 0.52
ATG4B Q9Y4P1 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.52
BLM P54132 2/20 0.52
CES2 O00748 1/20 0.52

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
SCHEMBL693395 0.95 MEN1 (0.55) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL167625 0.93 MEN1 (0.57) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL1350657 0.88 MEN1 (0.36) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL20774014 0.88 MEN1 (0.36) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL7148476 0.85 MEN1 (0.43) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL9799712 0.85 MEN1 (0.36) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL15062522 0.80
SCHEMBL15062680 0.80
Water SCHEMBL7789828 0.80 MEN1 (0.86) MEN1KMT2ACDC25BS100A4TDP2
SCHEMBL18832483 0.77 ALDH1A1 (0.39) MEN1KMT2AMAPK1RAB9ASMN1; SMN2

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP claimed
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP claimed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US claimed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US claimed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US claimed
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 claimed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US claimed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US claimed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US claimed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP claimed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO claimed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed

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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 MEN1 611/4885KMT2A 2684/4885CDC25B 967/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 MEN1 1304/4885KMT2A 4505/4885CDC25B 2790/4885

“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.