SCHEMBL3889079

SCHEMBL3889079

O=[N+]([O-])c1ccc(Nc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.62
KMT2A Q03164 9/20 0.62
MAPT P10636 6/20 0.62
LMNA P02545 3/20 0.62
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MITF O75030 1/20 0.61
ALOX12 P18054 2/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ROCK1 Q13464 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
CXCR2 P25025 1/20 0.53
STAT1 P42224 1/20 0.52
HTT P42858 2/20 0.51
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL6841808 0.85 MAPT (0.68) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL7982040 0.83 ROCK1 (0.63) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL913419 0.82 MEN1 (0.69) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL15960021 0.81 MEN1 (0.68) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4583278 0.81 HPGD (0.61) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL27827795 0.77 MEN1 (0.71) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL913813 0.77 MEN1 (1.00) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL2407197 0.76 L3MBTL1 (0.66) MEN1KMT2ALMNAALDH1A1KDM4E
SCHEMBL5204557 0.76 CXCR4 (0.70) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL9479463 0.76 ALOX12 (1.00) MEN1KMT2AMAPTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US claimed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP claimed
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US disclosed
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 MEN1 325/4885KMT2A 603/4885MAPT 2792/4885

“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.