SCHEMBL5894552

SCHEMBL5894552

[O-][n+]1ccc2cccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 2/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37
CCR1 P32246 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL28304525 0.72 CCR1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29354893 0.72 CCR1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8193 0.72 CCR1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
Bromide SCHEMBL31044093 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL16337846 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL2732606 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL2284189 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL32685215 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
Water SCHEMBL8327751 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL3710471 0.70 CCR1 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A

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 1 patent. 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 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 385/4885KDM4E 571/4885LMNA 724/4885

“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.