SCHEMBL5894675

SCHEMBL5894675

Nc1ccc(NCCO)c2ccn[n+]([O-])c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 2/20 0.30
THRB P10828 1/20 0.30
GLA P06280 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
SCHEMBL5894404 0.89 MAPT (0.34) KMT2AMAPTPKMALDH1A1TSHR
SCHEMBL5894553 0.83 KDM4E (0.37) MAPTALDH1A1LMNAKDM4ETHRB
SCHEMBL5894769 0.78 PRKCI (0.33) ALDH1A1KDM4EGLA
SCHEMBL5894742 0.77 PKM (0.36) KMT2AMAPTPKMALDH1A1LMNA
SCHEMBL5894466 0.76 KMT2A (0.35) KMT2AMAPTPKMALDH1A1TSHR
SCHEMBL5894340 0.75 AXL (0.33) LMNACYP2C19CYP2D6
SCHEMBL5894836 0.74 KMT2A (0.34) KMT2AMAPTPKMALDH1A1TSHR
SCHEMBL5894694 0.73 KMT2A (0.39) KMT2AMAPTPKMALDH1A1MEN1
SCHEMBL5894490 0.72 EP300 (0.44) ALDH1A1THRB
SCHEMBL5894805 0.72 NSD2 (0.36)

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 KMT2A 810/4885MAPT 1322/4885PKM 1496/4885

“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.