SCHEMBL5202277

SCHEMBL5202277

Cc1cc(N2CCCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.74
MAPT P10636 9/20 0.66
ALDH1A1 P00352 7/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 1/20 0.64
RECQL P46063 1/20 0.63
POLB P06746 2/20 0.62
HTR6 P50406 2/20 0.57
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
HTT P42858 1/20 0.55
ADRB1 P08588 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
SIRT6 Q8N6T7 1/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL1920553 0.94 HPGD (0.73) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL22634512 0.93 HPGD (0.71) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5237456 0.89 MAPT (0.62) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL6653754 0.87 HPGD (0.97) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL7050664 0.86 HPGD (0.88) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3837554 0.86 HPGD (1.00) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL573146 0.86 HPGD (1.00) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL2202741 0.83 ALDH1A1 (0.78) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL2921548 0.83 MAPT (0.65) HPGDMAPTALDH1A1SMN1; SMN2MAPK1
Tert-Butyl Formate SCHEMBL27839256 0.83 HPGD (0.57) HPGDMAPTALDH1A1SMN1; SMN2MAPK1

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
EP-1417184-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL OREAL (FR) 2007-08-29 EP disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-7241317-B2 Composition for dyeing keratin fibers comprising at least one para-phenylenediamine substituted with a diazacycloheptane radical L'OREAL, S.A. (FR) 2007-07-10 US disclosed
US-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical L'OREAL S.A. (FR) 2005-05-19 US disclosed
EP-1417184-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2004-05-12 EP disclosed
WO-2003014093-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES CONTAINING A PARAPHENYLENEDIAMINE SUBSTITUTED BY A DIAZACYCLOHEPTANE RADICAL L'OREAL (FR) 2003-02-20 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-20050102769-A1 Composition for dyeing keratinous fibers containing a paraphenylenediamine substituted by a diazacycloheptane radical KRT18, HPD, PPOX HPGD 20/4885MAPT 2115/4885ALDH1A1 314/4885

“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.