SCHEMBL5894181

SCHEMBL5894181

Nc1cc2ccc[n+]([O-])c2cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TERT O14746 1/20 0.31
HTT P42858 2/20 0.31
ACHE P22303 2/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 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
SCHEMBL14742904 0.78 ATM (0.54) ATMMAPTNPC1MEN1KMT2A
SCHEMBL1286632 0.78 MEN1 (0.47) ATMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1771699 0.78 ALDH1A1 (0.45) ATMSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9227699 0.75 ATM (0.40) ATMMAPTHTTACHEHSP90AA1
SCHEMBL3730208 0.75 ATM (0.40) ATMMAPTHTTACHEHSP90AA1
SCHEMBL5894103 0.74 PTK2 (0.39) GAA
SCHEMBL5894654 0.71 ATM (0.31) ATM
SCHEMBL3738777 0.71 ACHE (0.42) ATMSMN1; SMN2MAPTNPC1MEN1
SCHEMBL9531 0.70 ATM (0.48) ATMACHE
SCHEMBL1286771 0.69 LMNA (0.56) POLBMAPTMEN1KMT2AKDM4E

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 ATM 3130/4885POLB 584/4885SMN1; SMN2 4539/4885

“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.