SCHEMBL9974730

SCHEMBL9974730

C[N+]1(C)CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
MAPK1 P28482 4/20 0.70
HTT P42858 1/20 0.70
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.41
OPRK1 P41145 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 7/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9938525 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL9974756 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL1093120 0.84 ALDH1A1 (0.97) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL1981534 0.83 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4676953 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4679344 0.82 ALDH1A1 (1.00) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4675601 0.80 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL9684591 0.80 ALDH1A1 (0.74) ALDH1A1MAPK1HTTCYP1A2CYP2C9
SCHEMBL4673014 0.80 ALDH1A1 (0.68) ALDH1A1MAPK1HTTLMNAMAPT
SCHEMBL6948430 0.77 MAPK1 (0.68) ALDH1A1MAPK1HTTCYP1A2CYP2C9

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-2509951-B1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF ORÉAL L (FR) 2016-04-13 EP disclosed
US-9220671-B2 Dye composition comprising at least four dye precursors including at least one oxidation base and at least one coupler L'OREAL (FR) 2015-12-29 US disclosed
US-8491669-B2 Cationic 4-aminopyridine, dye composition comprising a cationic 4-aminopyridine, processes therefor and uses thereof L'OREAL (FR) 2013-07-23 US disclosed
US-20130048007-A1 NOVEL CATIONIC 4- AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2013-02-28 US disclosed
WO-2012080286-A9 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2013-01-31 WO disclosed
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed
WO-2011069898-A1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 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-20130048007-A1 NOVEL CATIONIC 4- AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF TPH1, ALDH7A1, FARS2 ALDH1A1 166/4885MAPK1 2143/4885HTT 1342/4885

“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.