SCHEMBL6173375

SCHEMBL6173375

CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3NC(=O)OC(c3ccncc3)C3CCNCC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 5/20 0.33
POLB P06746 4/20 0.33
GNRHR P30968 1/20 0.33
PPARG P37231 3/20 0.33
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL6169056 0.89 SCN3A (0.34) MAPT
SCHEMBL6168838 0.88 GPR119 (0.31)
SCHEMBL6171175 0.81 F10 (0.46) TDP1ALDH1A1MAPTRXFP1
SCHEMBL6169098 0.80 F10 (0.39) TDP1ALDH1A1KMT2APOLBMAPT
SCHEMBL7244090 0.76 CYP17A1 (0.36) TDP1ALDH1A1KMT2APOLBMAPT
SCHEMBL6168019 0.76 HPGD (0.50) TDP1ALDH1A1KMT2APPARGMAPK1
SCHEMBL5226962 0.76 CYP17A1 (0.36) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL6169760 0.75 F10 (0.48) TDP1ALDH1A1MAPTRXFP1
SCHEMBL6171684 0.74 MAPT (0.40) TDP1ALDH1A1KMT2APOLBPPARG
SCHEMBL6172553 0.74 KMT2A (0.42) TDP1ALDH1A1KMT2APOLBPPARG

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-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-20030078431-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2003-04-24 US disclosed
US-6500851-B2 ANTICOAGULANT IN MAMMLS ELI LILLY AND COMPANY 2002-12-31 US disclosed
US-20020173518-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-11-21 US disclosed
US-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 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-20020173518-A1 Antithrombotic agents SERPINC1, TFPI, F11 TDP1 1182/4885ALDH1A1 323/4885KMT2A 4505/4885
US-20030078431-A1 Antithrombotic agents SERPINC1, TFPI, F11 TDP1 1182/4885ALDH1A1 323/4885KMT2A 4505/4885

“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.