SCHEMBL4101251

SCHEMBL4101251

NC(=O)Cc1ccc([N+](=O)[O-])c(CC(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SNCA P37840 1/20 0.40
CTSD P07339 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP6 P55212 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4684043 0.86 CASP6 (0.49) CA2CYP1A2CYP3A4LMNAKDM4E
SCHEMBL2253267 0.83 TSHR (0.53) CA2CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL5184754 0.83 GPR35 (0.51) CA2CYP1A2CYP3A4LMNASNCA
SCHEMBL10615900 0.83 BACE1 (0.49) CA2CYP1A2SNCAALDH1A1CASP6
SCHEMBL23200508 0.82 ATM (0.51) CYP1A2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL29902892 0.82 ATM (0.51) CA2LMNAKDM4EALDH1A1MAPT
SCHEMBL28847424 0.82 ATM (0.51) CA2LMNAKDM4EALDH1A1MAPT
SCHEMBL25407643 0.82 MEN1 (0.46) CYP1A2RAB9ALMNAKDM4EALDH1A1
SCHEMBL30599924 0.82 MEN1 (0.46) CYP1A2RAB9ALMNAKDM4EALDH1A1
SCHEMBL30764869 0.82 TSHR (0.53) CA2CYP3A4NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090216046-A1 SELECTIVE ACYLATION OF 4-SUBSTITUTED-1,3-PHENYLENEDIAMINE WYETH (US) 2009-08-27 US disclosed
EP-1943212-A2 SELECTIVE ACYLATION OF 4-SUBSTITUTED-1,3-PHENYLENEDIAMINE Wyeth a Corporation of the State of Delaware (US) 2008-07-16 EP disclosed
WO-2007086956-A2 SELECTIVE ACYLATION OF 4-SUBSTITUTED-1,3-PHENYLENEDIAMINE WYETH (US) 2007-08-02 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-20090216046-A1 SELECTIVE ACYLATION OF 4-SUBSTITUTED-1,3-PHENYLENEDIAMINE AOC3, CBR3, C9 CA2 609/4885CYP1A2 236/4885CYP3A4 210/4885

“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.