SCHEMBL6170318

SCHEMBL6170318

CC(C)(C)OC(=O)n1nc(Cl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
ELANE P08246 6/20 0.43
F2 P00734 3/20 0.43
PLAU P00749 3/20 0.43
CTRB1 P17538 3/20 0.43
KLKB1 P03952 1/20 0.39
BRD4 O60885 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CREBBP Q92793 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL1709876 0.87 ELANE (0.47) MAPTALDH1A1LMNAELANEF2
SCHEMBL22777374 0.86 MAPT (0.44) MAPTALDH1A1LMNAELANEF2
SCHEMBL3964153 0.86 MAPT (0.44) MAPTALDH1A1LMNAELANEF2
SCHEMBL27585778 0.84 ELANE (0.42) MAPTALDH1A1LMNAELANEF2
SCHEMBL2922296 0.83 ELANE (0.41) MAPTALDH1A1LMNAELANEF2
SCHEMBL6375106 0.82 L3MBTL1 (0.52) MAPTALDH1A1LMNAELANEF2
SCHEMBL30833809 0.82 ELANE (0.41) MAPTALDH1A1LMNAELANEF2
SCHEMBL12090381 0.81 MAP2K4 (0.38) LMNABRD4MEN1KMT2AGABRG2
SCHEMBL2304349 0.81 ESR2 (0.43) MEN1KMT2AGABRG2GABRB3GABRA5
SCHEMBL12999396 0.81 ELANE (0.40) MAPTALDH1A1LMNAELANEF2

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 5 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

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 MAPT 4730/4885ALDH1A1 323/4885LMNA 1410/4885
US-20030078431-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.