SCHEMBL21923113

SCHEMBL21923113

CC(C)c1ccc(OCc2ccc(OC(F)(F)F)nc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 17/20 0.46
▸ GAA P10253 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ ADAMTS4 O75173 1/20 0.32

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
SCHEMBL21922388 0.83 ENPP2 (0.42) ENPP2GAA
SCHEMBL22186143 0.80 ALDH1A1 (0.30) —
SCHEMBL2093848 0.75 ENPP2 (0.40) ENPP2
SCHEMBL26581171 0.75 MAOB (0.41) GAA
SCHEMBL21922387 0.74 ENPP2 (0.51) ENPP2
SCHEMBL21503604 0.74 SCN10A (0.36) ENPP2
SCHEMBL21922352 0.74 GAA (0.53) GAA
SCHEMBL2093843 0.72 ENPP2 (0.38) ENPP2
SCHEMBL12949847 0.72 RXRA (0.39) ENPP2
SCHEMBL13548218 0.71 HTT (0.42) —

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-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 — — 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-20200131151-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885GAA 1248/4885HDAC1 2222/4885

“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.

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