SCHEMBL5894537

SCHEMBL5894537

[O-][n+]1cnc2cccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.35
RPS6KA5 O75582 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
HTT P42858 3/20 0.31
MEN1 O00255 2/20 0.31
CASP1 P29466 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
CASP7 P55210 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
SCHEMBL8194 0.75 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBRPS6KA5
SCHEMBL30099834 0.75 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBRPS6KA5
SCHEMBL4794889 0.74 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL27243874 0.73 LTA4H (0.30)
Water SCHEMBL28824188 0.72 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBRPS6KA5
SCHEMBL29095245 0.72 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBRPS6KA5
SCHEMBL28519048 0.72 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBRPS6KA5
Hydrochloric Acid SCHEMBL3439030 0.72 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBRPS6KA5
Hydrochloric Acid SCHEMBL3704751 0.72 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBRPS6KA5
Hydrochloric Acid SCHEMBL3710107 0.72 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBRPS6KA5

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.