SCHEMBL5894455

SCHEMBL5894455

[O-][n+]1ccnc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.31
HTT P42858 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CASP1 P29466 2/20 0.31
LMNA P02545 2/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
BLM P54132 2/20 0.31
CASP7 P55210 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR4A2 P43354 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL9901185 0.85 KDM4E (0.38) ALDH1A1MAPTKDM4EPOLBHTT
SCHEMBL240893 0.72 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ECYP3A4HTT
SCHEMBL1571887 0.72 KDM4E (0.39) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL5894605 0.72 TDP1 (0.31) MAPTKDM4ECYP3A4HTTMEN1
SCHEMBL247478 0.71 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL29364156 0.71 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBNPC1
Bromide SCHEMBL7758538 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EHTTLMNATSHR
SCHEMBL4779709 0.69 NPC1 (0.44) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL28665764 0.69
Quinoxaline SCHEMBL5268892 0.69 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EPOLBMEN1

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 385/4885MAPT 1322/4885KDM4E 571/4885

“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.