SCHEMBL5894290

SCHEMBL5894290

Nc1ccc(N)c2c1ncc[n+]2[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
IDO1 P14902 1/20 0.35
PSMB5 P28074 1/20 0.35
NR4A2 P43354 1/20 0.32

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
SCHEMBL5894224 0.85 HSP90AA1 (0.46) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL5894499 0.85 HSP90AA1 (0.50) MEN1KMT2AALDH1A1MAPTHSP90AA1
SCHEMBL5894855 0.81 MEN1 (0.32) MEN1KMT2AAPAF1TDP2ALDH1A1
SCHEMBL5894732 0.81 PRKCI (0.32)
SCHEMBL5894709 0.78 IDO1 (0.40) KMT2AALDH1A1MAPTIDO1
SCHEMBL5894680 0.78 MAPT (0.46) MEN1KMT2ATDP2ALDH1A1MAPT
SCHEMBL5894792 0.78 ALDH1A1 (0.46) MEN1KMT2ATDP2ALDH1A1MAPT
SCHEMBL5894424 0.78 IDO1 (0.40) KMT2AALDH1A1MAPTIDO1
SCHEMBL5894765 0.77 NSD2 (0.39)
SCHEMBL5894608 0.77 NSD2 (0.36)

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 810/4885APAF1 3048/4885

“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.