SCHEMBL3989486

SCHEMBL3989486

NCCCNCCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
GLA P06280 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPT P10636 9/20 0.55
KDM4E B2RXH2 1/20 0.55
KAT2B Q92831 3/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
CHRM2 P08172 1/20 0.50
RAB9A P51151 1/20 0.48
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46

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
SCHEMBL6851290 0.94 ALDH1A1 (0.60) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL10653211 0.89 ALDH1A1 (0.59) ALDH1A1GLASMN1; SMN2HPGDALOX12
Hydrochloric Acid SCHEMBL514646 0.87 ALDH1A1 (0.57) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL8820191 0.87 ALDH1A1 (0.57) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL4951837 0.87 ALDH1A1 (0.73) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL5153567 0.85 MAPT (0.63) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL5355772 0.83 MAPT (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL9003269 0.83 MAPT (0.70) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL9388443 0.83 MAPT (0.67) ALDH1A1GLASMN1; SMN2HPGDALOX12
Hydrochloric Acid SCHEMBL28432645 0.82 MAPT (0.59) ALDH1A1GLASMN1; SMN2HPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568683-B1 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof OREAL (FR) 2009-05-27 EP disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US disclosed
US-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL 2006-02-09 US disclosed
EP-1568683-A2 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof L'OREAL (FR) 2005-08-31 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-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof KRT18, CDC73, PRKDC ALDH1A1 1045/4885GLA 1218/4885SMN1; SMN2 4750/4885

“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.