SCHEMBL5894475

SCHEMBL5894475

[O-][n+]1nccc2cccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
CCR1 P32246 2/20 0.38
CCR8 P51685 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL1571887 0.72 KDM4E (0.39) LMNAMMP2TSHRCCR1CCR8
SCHEMBL5894390 0.70 ATM (0.43)
SCHEMBL5894616 0.69 LMNA (0.37) LMNAMMP2TSHRCCR1CCR8
SCHEMBL2729735 0.65 MMP2 (0.37) LMNAMMP2TSHRCCR1CCR8
SCHEMBL3072047 0.64 CYP2A6 (0.41) LMNATSHRCYP3A4MAPTPMP22
SCHEMBL5894144 0.64 MMP2 (0.35) LMNAMMP2TSHRCCR1CCR8
SCHEMBL747251 0.64 MMP2 (0.35) LMNAMMP2TSHRCCR1CCR8
SCHEMBL563818 0.62 PARP1 (0.34) METAP2METAP1PSMD14NUDT1
SCHEMBL5894455 0.62 ALDH1A1 (0.41) LMNATSHRCYP3A4KDM4EHTT
SCHEMBL5894532 0.60 ALDH1A1 (0.43) LMNAMMP2TSHRCCR1CCR8

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 LMNA 724/4885MMP2 1479/4885TSHR 4850/4885

“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.