SCHEMBL5894441

SCHEMBL5894441

Nc1ccc(N)c2c1ccc[n+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 3/20 0.37
EP300 Q09472 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
HDAC3 O15379 1/20 0.37
KAT2B Q92831 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KDM4E B2RXH2 2/20 0.35
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL5894626 0.84 IDO1 (0.50) HPGDTSHRHSD17B10MAPTHTT
SCHEMBL5894663 0.84 IDO1 (0.50) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL6880882 0.84 HSP90AA1 (0.36) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL1262036 0.84 HSP90AA1 (0.36) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL5894803 0.79 IDO1 (0.38) MAPTHTTHSP90AA1IDO1KEAP1
SCHEMBL5894852 0.79 IDO1 (0.34) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL5894179 0.78 ALDH1A1 (0.30) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL4136722 0.76 CYP3A4 (0.43) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL5894692 0.75 KEAP1 (0.42) ALDH1A1HPGDHSD17B10MAPTHTT
SCHEMBL5894787 0.75 KEAP1 (0.42) ALDH1A1HSD17B10MAPTHTTTDP1

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 ALDH1A1 385/4885HPGD 158/4885CYP3A4 526/4885

“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.