SCHEMBL2934670

SCHEMBL2934670

O=[N+]([O-])c1ccc(NCC2CCCC(CNc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 4/20 0.44
EPHX1 P07099 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6610075 0.89 MAPT (0.57) MAPTGAALMNAPOLBNAMPT
SCHEMBL30781039 0.87 MAPT (0.58) MAPTGAALMNAPOLBNAMPT
SCHEMBL2930543 0.87 MAPT (0.58) MAPTGAALMNAPOLBNAMPT
SCHEMBL23247037 0.80 MAPT (0.50) MAPTGAALMNAPOLBNAMPT
SCHEMBL28186774 0.77 MAPT (0.53) MAPTLMNAPOLBALDH1A1MEN1
SCHEMBL2928230 0.75 NFE2L2 (0.38) MAPTGAALMNAPOLBALDH1A1
SCHEMBL7711910 0.75 KDM4E (0.62) MAPTPOLBALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5442441 0.73 NFE2L2 (0.37) MAPTGAALMNAPOLBALDH1A1
SCHEMBL6199323 0.73 KAT2B (0.49) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL5445415 0.72 MAPT (0.81) MAPTGAALMNAPOLBNAMPT

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-1739084-B1 Double para-phenylenediamines joined by a linker comprising a saturated cyclic radical and use thereof as dyeing agents OREAL (FR) 2010-09-15 EP disclosed
EP-1739084-B1 Double para-phenylenediamines joined by a linker comprising a saturated cyclic radical and use thereof as dyeing agents OREAL (FR) 2010-09-15 EP 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
EP-1739084-A1 Double para-phenylenediamines joined by a linker comprising a saturated cyclic radical and use thereof as dyeing agents L'OREAL (FR) 2007-01-03 EP 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-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing KRT18, CDC73, AOC1 MAPT 4112/4885GAA 4777/4885LMNA 717/4885

“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.