SCHEMBL5894528

SCHEMBL5894528

[O-][n+]1cc2ncccc2[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ERN1 O75460 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CASP6 P55212 1/20 0.30

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
SCHEMBL247478 0.72 ALDH1A1 (0.41) KDM4EMAPTALDH1A1ERN1NPC1
SCHEMBL29364156 0.72 ALDH1A1 (0.41) KDM4EMAPTALDH1A1ERN1NPC1
SCHEMBL1933022 0.70 HTT (0.46) KDM4EMAPTALDH1A1ERN1NPC1
SCHEMBL12457543 0.70 ALDH1A1 (0.46) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL5894537 0.69 ALDH1A1 (0.43) KDM4EMAPTALDH1A1ERN1NPC1
SCHEMBL5894144 0.69 MMP2 (0.35) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL195792 0.67 ATM (0.43) NPC1RAB9A
SCHEMBL2078225 0.67 ALDH1A1 (0.50) KDM4EMAPTALDH1A1NPC1POLB
SCHEMBL240893 0.65 ALDH1A1 (0.38) KDM4EMAPTALDH1A1
Bromide SCHEMBL7758538 0.64 ALDH1A1 (0.37) KDM4EALDH1A1

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 KDM4E 571/4885MAPT 1322/4885ALDH1A1 385/4885

“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.