SCHEMBL7039030

SCHEMBL7039030

CC1(O)CN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.57
MAPT P10636 8/20 0.56
ALDH1A1 P00352 5/20 0.53
POLB P06746 1/20 0.53
ADRB1 P08588 1/20 0.53
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.49
AKR1C3 P42330 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
SCHEMBL7986410 0.85 SIRT6 (0.66) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL25796990 0.83 SIRT6 (0.63) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL22489080 0.81 MEN1 (0.64) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6824323 0.81 SIRT6 (0.56) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL25279405 0.80 POLB (0.59) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL22175056 0.79 SIRT6 (0.63) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL25200165 0.77 MAPT (0.59) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL17373705 0.77 MAPT (0.59) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL15271381 0.77 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBADRB1
SCHEMBL6151230 0.77 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBADRB1

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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group L'OREAL S.A. (FR) 2003-02-13 US disclosed
EP-1185236-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2002-03-13 EP disclosed
WO-2001041724-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2001-06-14 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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group KRT18, CDC73, AOC1 SIRT6 3772/4885MAPT 1146/4885ALDH1A1 632/4885

“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.