SCHEMBL3989574

SCHEMBL3989574

NC(=O)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.67
CYP19A1 P11511 2/20 0.67
ESR2 Q92731 2/20 0.67
MAPT P10636 5/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 5/20 0.53
GLA P06280 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HDAC1 Q13547 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48

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
Urea SCHEMBL28444611 0.86 MAPT (0.54) ESR1CYP19A1ESR2MAPTMEN1
SCHEMBL1126414 0.84 MAPT (0.59) ESR1CYP19A1ESR2MAPTMEN1
SCHEMBL28122216 0.82 MAPT (0.58) ESR1CYP19A1ESR2MAPTMEN1
SCHEMBL28935012 0.82 MAPT (0.62) ESR1CYP19A1ESR2MAPTMEN1
SCHEMBL16306796 0.81 MAPT (0.66) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL17560621 0.80 MAPT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1258976 0.79 MAPT (0.59) ESR1CYP19A1ESR2MAPTMEN1
SCHEMBL3155947 0.78 MAPT (0.57) ESR1CYP19A1ESR2MAPTMEN1
SCHEMBL24648 0.78 MAPT (0.62) MAPTMEN1KMT2AALDH1A1GLA
SCHEMBL13519848 0.77 MAPT (0.66) MAPTMEN1KMT2AALDH1A1GLA

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 ESR1 4441/4885CYP19A1 3048/4885ESR2 4191/4885

“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.