SCHEMBL21810594

SCHEMBL21810594

Cc1cc(N)c([N+](=O)[O-])cc1NCCC(O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.40
KAT2B Q92831 4/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
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
SCHEMBL111935 0.85 MAPT (0.52) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL29391950 0.85 MAPT (0.52) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL30808005 0.83 MAPT (0.54) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL11056141 0.83 MAPT (0.54) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL112790 0.83 MAPT (0.54) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL11059627 0.82 MAPT (0.50) MAPTALDH1A1LMNAKAT2B
SCHEMBL6151634 0.82 MAPT (0.52) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL11056017 0.81 KAT2B (0.60) MAPTALDH1A1LMNAKAT2BTDP1
Bromide SCHEMBL10714879 0.81 MAPT (0.51) MAPTALDH1A1LMNAKAT2BTSHR
SCHEMBL109941 0.80 MAPT (0.58) MAPTALDH1A1LMNATSHRCYP3A4

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-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
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

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-20200085714-A1 Process for Dyeing and Relaxing Curls of Keratin Fibres, Using Reducing Agents and Hair Dyes, and Associated Kit KRT18, KIT, KLK5 MAPT 752/4885ALDH1A1 1653/4885LMNA 455/4885
US-11166896-B2 Process for dyeing and relaxing curls of keratin fibres, using reducing agents and hair dyes, and associated kit KRT18, KIT, KLK5 MAPT 752/4885ALDH1A1 1653/4885LMNA 455/4885

“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.