SCHEMBL5944591

SCHEMBL5944591

Nc1cnc(NCc2ccco2)[n+]([O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5945003 0.77 KDM4E (0.47) POLBMAPK1KDM4ELMNAPKM
SCHEMBL5944788 0.77 MAPK1 (0.44) POLBMAPK1KDM4ELMNAPKM
SCHEMBL5944990 0.76 MAPK1 (0.43) POLBMAPK1KDM4ELMNAPKM
SCHEMBL5944684 0.76 POLB (0.42) POLBMAPK1KDM4ELMNAPKM
SCHEMBL5944835 0.76 HPGD (0.36) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL5944978 0.73 ALDH1A1 (0.51) POLBMAPK1KDM4ELMNAPKM
SCHEMBL5944661 0.72 CDK1 (0.33) POLBKDM4EALDH1A1GAACYP2D6
SCHEMBL5945088 0.71 L3MBTL1 (0.34) ALDH1A1HPGDHSD17B10USP2CYP1A2
SCHEMBL5944805 0.70 KDM4E (0.52) POLBMAPK1KDM4ELMNAPKM
SCHEMBL5944875 0.70 PKM (0.43) POLBMAPK1KDM4ELMNAPKM

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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156481-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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KRTCAP2, NOX5 POLB 1040/4885MAPK1 1232/4885KDM4E 1023/4885

“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.