SCHEMBL6324152

SCHEMBL6324152

N=C(N)NC1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 4/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIRT6 Q8N6T7 2/20 0.43
ADRB1 P08588 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5204166 0.84 MAPT (0.59) MAPTALDH1A1ALOX12HTTCA12
SCHEMBL1749545 0.84 MAPT (0.59) MAPTALDH1A1ALOX12HTTCA12
SCHEMBL1749546 0.84 MAPT (0.59) MAPTALDH1A1ALOX12HTTCA12
SCHEMBL1749644 0.83 MAPT (0.57) MAPTALDH1A1ALOX12HTTCA12
SCHEMBL1749646 0.83 MAPT (0.57) MAPTALDH1A1ALOX12HTTCA12
SCHEMBL3551387 0.83 MAPT (0.57) MAPTALDH1A1ALOX12HTTCA12
SCHEMBL2126747 0.82 MAPT (0.40) MAPTALDH1A1HTTMAPK1POLB
Hydrochloric Acid SCHEMBL5201475 0.82 MAPT (0.56) MAPTALDH1A1ALOX12HTTCA12
Hydrochloric Acid SCHEMBL4626118 0.81 MAPT (0.42) MAPTALDH1A1HTTMAPK1POLB
Hydrochloric Acid SCHEMBL2128388 0.81 MAPT (0.42) MAPTALDH1A1HTTMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946005-B2 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-09-20 US disclosed
US-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2004-10-07 US disclosed
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres SABELLE STEPHANE (FR) 2003-12-18 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-20040194227-A9 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 MAPT 903/4885ALDH1A1 2448/4885ALOX12 4589/4885
US-20030229949-A1 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibres KRT18, VIM, CKAP4 MAPT 903/4885ALDH1A1 2448/4885ALOX12 4589/4885

“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.