SCHEMBL7234292

SCHEMBL7234292

CCNc1[c]c([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
HTT P42858 3/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.36
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PGK1 P00558 1/20 0.35
HCAR3 P49019 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
ALOX12 P18054 2/20 0.34
HPGD P15428 1/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL27865244 0.91 MAPT (0.52) MAPTHTTPOLBTSHRCYP19A1
SCHEMBL10385920 0.80 KMT2A (0.44) MAPTHTTTSHRCYP19A1MEN1
SCHEMBL18479 0.77 CYP19A1 (0.52) MAPTHTTPOLBTSHRCYP19A1
SCHEMBL4599560 0.75 MAPT (0.50) MAPTHTTPOLBTSHRMEN1
SCHEMBL6936677 0.72 HTT (0.44) MAPTHTTPOLBTSHRCYP19A1
SCHEMBL908704 0.72 ALDH1A1 (0.48) MAPTHTTPOLBTSHRCYP19A1
SCHEMBL7274798 0.72 TSHR (0.50) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL909296 0.72 TSHR (0.45) HTTPOLBTSHRCYP19A1MEN1
SCHEMBL8347866 0.72 MAPT (0.66) MAPTHTTPOLBTSHRCYP19A1
SCHEMBL11884435 0.70 HTT (0.39) MAPTHTTPOLBTSHRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 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 (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-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX MAPT 349/4885HTT 3174/4885POLB 361/4885

“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.