SCHEMBL5894615

SCHEMBL5894615

Nc1cc2c[n+]([O-])cnc2cc1N

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP6 P55212 1/20 0.34
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

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
SCHEMBL5894688 0.64 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9374695 0.64 CASP6 (0.71) MAPTMEN1NPC1USP2POLB
SCHEMBL5894432 0.63 PTK2 (0.39)
Hydrochloric Acid SCHEMBL30075676 0.63 CASP6 (0.69) MAPTMEN1NPC1USP2POLB
Hydrochloric Acid SCHEMBL28888961 0.63 CASP6 (0.69) MAPTMEN1NPC1USP2POLB
SCHEMBL14166798 0.62 MAPT (0.44) MAPTMEN1NPC1USP2POLB
SCHEMBL30437185 0.62 MAPT (0.44) MAPTMEN1NPC1USP2POLB
SCHEMBL5894841 0.61
SCHEMBL29428970 0.61 KMT2A (0.72) MAPTMEN1NPC1USP2POLB
SCHEMBL837057 0.61 KMT2A (0.72) MAPTMEN1NPC1USP2POLB

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 1322/4885MEN1 4775/4885NPC1 4475/4885

“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.