SCHEMBL5451069

SCHEMBL5451069

O=[N+]([O-])c1ccc(NCCCN2CCN(CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
KCNJ1 P48048 3/20 0.57
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
KCNH2 Q12809 2/20 0.55
ALDH1A1 P00352 6/20 0.55
GLA P06280 2/20 0.55
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
SIGMAR1 Q99720 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
KDM4E B2RXH2 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
SCHEMBL2378167 0.94 KMT2A (0.70) KMT2AKCNJ1MAPTSMN1; SMN2LMNA
SCHEMBL3995356 0.94 HRH3 (0.57) KMT2AKCNJ1MAPTSMN1; SMN2LMNA
SCHEMBL13177083 0.93 KMT2A (0.55) KMT2AKCNJ1MAPTSMN1; SMN2LMNA
SCHEMBL2376571 0.90 MAPT (0.68) KMT2AKCNJ1MAPTSMN1; SMN2LMNA
SCHEMBL28783674 0.85 ALDH1A1 (0.68) KMT2AKCNJ1MAPTSMN1; SMN2LMNA
SCHEMBL3585157 0.84 HRH3 (0.60) KCNJ1MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL3271959 0.83 HRH3 (0.59) KCNJ1MAPTSMN1; SMN2LMNAKCNH2
SCHEMBL4951837 0.83 ALDH1A1 (0.73) KMT2AMAPTSMN1; SMN2ALDH1A1GLA
SCHEMBL9388850 0.82 KMT2A (0.48) KMT2AKCNJ1MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9383787 0.82 KMT2A (0.47) KMT2AKCNJ1MAPTSMN1; SMN2LMNA

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-2734179-B1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO KGAA (DE) 2017-03-01 EP disclosed
US-20140245541-A1 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2014-09-04 US disclosed
US-8821592-B1 Oxidation dye precursors HENKEL AG & CO. KGAA (DE) 2014-09-02 US disclosed
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing L'OREAL S.A. (FR) 2007-01-18 US 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 (2 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-20140245541-A1 NOVEL OXIDATION DYE PRECURSORS KRT18, SQOR, NDUFA5 KMT2A 2058/4885KCNJ1 699/4885MAPT 844/4885
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing KRT18, CDC73, AOC1 KMT2A 1573/4885KCNJ1 1305/4885MAPT 4112/4885

“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.