SCHEMBL5316072

SCHEMBL5316072

Nc1cccc2cnn(OCc3ccccc3)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
DHFR P00374 8/20 0.37
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.34
MAOB P27338 2/20 0.34
DCPS Q96C86 1/20 0.34
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4956933 0.88 RECQL (0.33) RECQLDHFRMAPT
SCHEMBL4955540 0.84 RECQL (0.36) RECQLMAOBTSHRALDH1A1MAPT
SCHEMBL4951478 0.82 DHFR (0.40) DHFRIDO1AGXTMAOBTSHR
SCHEMBL4954035 0.80 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL4956158 0.78 DHFR (0.39) RECQLDHFRIDO1AGXTMAOB
SCHEMBL4952937 0.78 RECQL (0.36) RECQLDHFRIDO1AGXTMAOB
SCHEMBL3532871 0.78 RECQL (0.53) RECQLTSHRALDH1A1MAPTRAB9A
SCHEMBL4910492 0.78 DHFR (0.40) DHFRIDO1AGXTMAOBTSHR
SCHEMBL4955153 0.77 IDO1 (0.37) DHFRIDO1TSHRALDH1A1MAPT
SCHEMBL4955071 0.77 HEXA (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C RECQL 3163/4885DHFR 161/4885IDO1 1767/4885

“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.