SCHEMBL881183

SCHEMBL881183

COCc1cc(N=O)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.34
▸ PRKCE Q02156 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MYLK Q15746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ TYMS P04818 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL14722967 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL23009841 0.80 PRKCE (0.35) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL29713843 0.80 PRKCE (0.35) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL881190 0.79 PRKCE (0.46) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL9877534 0.77 SKP2 (0.42) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL108757 0.75 MAPT (0.44) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL19899827 0.75 MAPT (0.44) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL10883526 0.75 ALDH1A1 (0.48) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL29354986 0.75 MAPT (0.44) ALDH1A1PRKCEMAPTMYLKMEN1
SCHEMBL13361211 0.75 PRKCE (0.35) ALDH1A1PRKCEMAPTMYLKMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine WELLA OPERATIONS US, LLC 2012-03-29 — — 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-20120078016-A1 Methods of Synthesizing 2-Substituted-1,4-Benzenediamine TYR, BTD, BRD4 ALDH1A1 837/4885PRKCE 4848/4885MAPT 4602/4885

“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.

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