SCHEMBL5894253

SCHEMBL5894253

Nc1cc2ncc[n+]([O-])c2cc1N

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASP6 P55212 1/20 0.31
NR4A2 P43354 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5894103 0.73 PTK2 (0.39)
SCHEMBL4779709 0.72 NPC1 (0.44) MAPTKDM4EALDH1A1CASP6NR4A2
SCHEMBL9228669 0.69 NR4A2 (0.43) MAPTALDH1A1TDP1NR4A2NPC1
SCHEMBL14166798 0.67 MAPT (0.44) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL30437185 0.67 MAPT (0.44) MAPTKDM4EALDH1A1APEX1RECQL
Quinoxaline SCHEMBL5268892 0.64 ALDH1A1 (0.35) MAPTKDM4EALDH1A1MEN1USP2
SCHEMBL5894630 0.64 METAP1 (0.32)
SCHEMBL1747903 0.64 KDM4A (0.31)
SCHEMBL5894455 0.61 ALDH1A1 (0.41) MAPTKDM4EALDH1A1BLMTDP1
SCHEMBL247478 0.61 ALDH1A1 (0.41) MAPTKDM4EALDH1A1BLMNR4A2

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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 MAPT 1322/4885KDM4E 571/4885ALDH1A1 385/4885

“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.