SCHEMBL5225027

SCHEMBL5225027

COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
HPGD P15428 1/20 0.61
NR1H4 Q96RI1 4/20 0.61
MAPT P10636 6/20 0.60
NPC1 O15118 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HSP90AA1 P07900 1/20 0.60
PKM P14618 1/20 0.60
PAX8 Q06710 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PPARG P37231 1/20 0.59
PPARD Q03181 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.59
ALOX5 P09917 1/20 0.58
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL5222845 0.92 MAPT (0.63) HTTHPGDNR1H4MAPTNPC1
SCHEMBL4796441 0.84 HTT (0.70) HTTHPGDMAPTNPC1MEN1
SCHEMBL5229003 0.83 NR1H4 (0.68) HTTNR1H4MAPTNPC1MEN1
SCHEMBL5223816 0.83 NR1H4 (0.65) NR1H4MAPTNPC1MEN1KMT2A
SCHEMBL5226461 0.81 NR1H4 (0.63) NR1H4MAPTNPC1MEN1KMT2A
SCHEMBL2633343 0.81 ALOX5 (0.77) HTTMAPTNPC1MEN1KMT2A
SCHEMBL2061754 0.81 ALOX5 (0.77) HTTMAPTNPC1MEN1KMT2A
SCHEMBL6170589 0.81 HPGD (0.57) HTTHPGDNR1H4MAPTNPC1
SCHEMBL7246999 0.81 RAB9A (0.64) HTTHPGDMAPTNPC1MEN1
SCHEMBL7251700 0.80 NR1H4 (0.64) NR1H4MAPTNPC1PPARGPPARD

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 HTT 3857/4885HPGD 927/4885NR1H4 2304/4885

“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.