SCHEMBL7066324

SCHEMBL7066324

CC(NC(=O)C(Cc1c[nH]c2ccccc12)NCc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 0.58
MMP2 P08253 1/20 0.52
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
KCNT1 Q5JUK3 1/20 0.51
TACR1 P25103 1/20 0.50
DNMT1 P26358 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ECE1 P42892 4/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL7067293 0.87 MMP9 (0.63) MMP9MMP8MMP2KCNT1TACR1
SCHEMBL7067257 0.84 MMP9 (0.59) MMP9MMP8MMP2KCNT1TACR1
SCHEMBL7065632 0.82 MMP9 (0.56) MMP9MMP8MMP2KCNT1TACR1
SCHEMBL7064027 0.82 MMP9 (0.56) MMP9MMP8MMP2KCNT1TACR1
SCHEMBL7674750 0.81 POLB (0.59) MMP9MMP8MMP2ITGB2ICAM1
SCHEMBL7064254 0.78 MMP9 (0.58) MMP9MMP8MMP2KCNT1TACR1
SCHEMBL8850370 0.77 MMP9 (0.80) MMP9MMP8MMP2TACR1MEN1
SCHEMBL8201151 0.77 MMP9 (0.80) MMP9MMP8MMP2TACR1MEN1
SCHEMBL8201153 0.77 MMP9 (0.80) MMP9MMP8MMP2TACR1MEN1
SCHEMBL7675824 0.77 MMP9 (0.58) MMP9MMP8MMP2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065007-A1 NK1 receptor antagonists CRESWELL MARK WALLACE (US) 2003-04-03 US claimed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO claimed
US-20030065007-A1 NK1 receptor antagonists CRESWELL MARK WALLACE (US) 2003-04-03 US disclosed
US-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 US disclosed
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 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-20030065007-A1 NK1 receptor antagonists HRH1, HRH4, HRH2 MMP9 4069/4885MMP8 688/4885MMP2 4257/4885

“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.