SCHEMBL4860141

SCHEMBL4860141

Cc1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
PKM P14618 1/20 0.72
POLB P06746 1/20 0.70
RAB9A P51151 9/20 0.63
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 4/20 0.63
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 2/20 0.53
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SORT1 Q99523 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MITF O75030 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
SCHEMBL3151263 0.90 POLB (0.83) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL4859580 0.90 KDM4E (0.63) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL890692 0.90 POLB (0.71) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL12045547 0.88 PKM (0.74) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL4859758 0.87 KDM4E (1.00) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL31110072 0.82 KDM4E (0.81) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL4865759 0.81 RAB9A (0.58) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL2433512 0.79 POLB (0.67) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL4859752 0.79 KDM4E (0.55) KDM4EPKMPOLBRAB9ANPC1
SCHEMBL7119948 0.78 SMN1; SMN2 (0.83) KDM4EPKMPOLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
EP-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7163938-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2007-01-16 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-7160878-B2 Substituted heterocyclic amides ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed
US-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY 2004-12-02 US disclosed
EP-1456175-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
US-20040097491-A1 Substituted heterocyclic amides HERRON DAVID KENT (US) 2004-05-20 US disclosed
EP-1401836-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SmithKline Beecham Corporation (US) 2004-03-31 EP disclosed
US-20040058959-A1 Substituted carboxamides HERRON DAVID KENT (US) 2004-03-25 US disclosed
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
WO-2003000689-A1 IMIDAZO`1,2-A!PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-03 WO disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 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 (3 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-20040242581-A1 Substituted heterocyclic carboxamides with antithrombotic activity F11, SERPINC1, TFPI KDM4E 2131/4885PKM 2406/4885POLB 4142/4885
US-20040097491-A1 Substituted heterocyclic amides F12, F11, F8 KDM4E 2216/4885PKM 1610/4885POLB 3843/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI KDM4E 1528/4885PKM 2339/4885POLB 3753/4885

“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.