SCHEMBL2469818

SCHEMBL2469818

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 7/20 0.58
HTT P42858 1/20 0.53
MAPT P10636 3/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
DHFR P00374 1/20 0.47
HTR6 P50406 1/20 0.46
PRSS1 P07477 2/20 0.46
HCAR3 P49019 2/20 0.46
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2467529 0.90 HTT (0.57) KAT2BHTTMAPTGLAGAA
SCHEMBL109663 0.85 HTT (0.58) KAT2BHTTMAPTGAAPRSS1
SCHEMBL11773204 0.83 HTT (0.58) KAT2BHTTMAPTGLAGAA
SCHEMBL9819662 0.82 HTT (0.57) KAT2BHTTMAPTGLAGAA
SCHEMBL9776301 0.82 HTT (0.61) HTTMAPTHCAR3POLBPKM
SCHEMBL2471381 0.80 MAPT (0.60) KAT2BMAPTGLAGAAHTR6
SCHEMBL8949423 0.79 HTT (0.48) KAT2BHTTMAPTHCAR3POLB
SCHEMBL12514851 0.79 HTT (0.51) KAT2BHTTMAPTPRSS1HCAR3
SCHEMBL11780708 0.79 HTT (0.64) HTTMAPTHCAR3ALDH1A1LMNA
SCHEMBL28060641 0.78 KAT2B (0.46) KAT2BHTTMAPTGLAGAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed
EP-1437123-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2007-06-06 EP claimed
EP-1437123-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2004-07-14 EP claimed
EP-0999823-B1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2004-06-16 EP claimed
US-6712861-B2 CATIONIC DIRECT DYE L'OREAL S.A. (FR) 2004-03-30 US claimed
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods L'OREAL S.A. (FR) 2003-05-08 US claimed
US-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL S.A. (FR) 2003-01-02 US claimed
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRAVTCHENKO SYLVAIN (FR) 2002-07-25 US claimed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP claimed
US-11166896-B2 Process for dyeing and relaxing curls of keratin fibres, using reducing agents and hair dyes, and associated kit L'OREAL (FR) 2021-11-09 US disclosed
WO-2021099510-A1 DYEING OR LIGHTENING PROCESS USING A HAND-HELD STYLING DEVICE AND A SUBSTRATE L'OREAL (FR) 2021-05-27 WO disclosed
EP-3558462-B1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT OREAL (FR) 2021-01-20 EP disclosed
US-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit L'OREAL (FR) 2020-03-19 US disclosed
EP-3558462-A1 PROCESS FOR DYEING AND RELAXING CURLS OF KERATIN FIBRES, USING REDUCING AGENTS AND HAIR DYES, AND ASSOCIATED KIT L'Oreal (FR) 2019-10-30 EP disclosed
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRAVTCHENKO SYLVAIN (FR) 2002-07-25 US disclosed
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME RONDEAU CHRISTINE (FR) 2002-01-17 US disclosed
EP-1149575-A1 Oxidative dyeing composition for keratin fibres comprising 1-(4-aminophenyl)-pyrrolidine and a particular direct dye L'OREAL (FR) 2001-10-31 EP disclosed
EP-0999823-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2000-05-17 EP disclosed
WO-1999020235-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 1999-04-29 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 (6 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-20030000023-A9 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, CYB5R3, TUBB6 KAT2B 663/4885HTT 1567/4885MAPT 834/4885
US-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit KRT18, KIT, KLK5 KAT2B 255/4885HTT 1345/4885MAPT 752/4885
US-20020095732-A1 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 KAT2B 566/4885HTT 2648/4885MAPT 559/4885
US-20030084516-A9 Compositions for oxidation dyeing keratinous fibers comprising at least one oxidation precursor, and at least one direct dye, and dyeing methods KRT18, PLOD1, PLOD2 KAT2B 566/4885HTT 2648/4885MAPT 559/4885
US-11166896-B2 Process for dyeing and relaxing curls of keratin fibres, using reducing agents and hair dyes, and associated kit KRT18, KIT, KLK5 KAT2B 255/4885HTT 1345/4885MAPT 752/4885
US-20020004956-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME KRT18, TUBB1, TUBB4B KAT2B 114/4885HTT 1519/4885MAPT 522/4885

“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.