SCHEMBL5894686

SCHEMBL5894686

Nc1cc2cc[n+]([O-])nc2cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP6 P55212 1/20 0.31
F2 P00734 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAOA P21397 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 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
SCHEMBL5894508 0.68 ALDH1A1 (0.39) NPC1MAPTLMNAACHE
SCHEMBL5894688 0.64 ALDH1A1 (0.32)
SCHEMBL5894791 0.63 HSP90AA1 (0.33)
SCHEMBL5894654 0.61 ATM (0.31)
SCHEMBL29428970 0.61 KMT2A (0.72) MEN1KMT2ANPC1USP2POLB
SCHEMBL837057 0.61 KMT2A (0.72) MEN1KMT2ANPC1USP2POLB
SCHEMBL5894615 0.60 MAPT (0.34) MEN1KMT2ANPC1USP2POLB
SCHEMBL11634751 0.60
SCHEMBL9374695 0.60 CASP6 (0.71) MEN1KMT2ANPC1USP2POLB
Hydrochloric Acid SCHEMBL31429084 0.59 KMT2A (0.68) MEN1KMT2ANPC1USP2POLB

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 MEN1 4775/4885KMT2A 810/4885NPC1 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.