SCHEMBL8094841

SCHEMBL8094841

[2H]C([2H])([2H])Oc1cc2nc(Cl)nc(Cl)c2cc1OC([2H])([2H])[2H]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.44
EGFR P00533 8/20 0.43
KDR P35968 7/20 0.43
KDM4E B2RXH2 1/20 0.41
EHMT2 Q96KQ7 1/20 0.40
ENPP1 P22413 2/20 0.39
TNF P01375 1/20 0.38
PGK1 P00558 1/20 0.37
WHR1 P49842 1/20 0.36

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
SCHEMBL294809 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL29532044 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL8094835 0.83 POLB (0.48) SMN1; SMN2ALDH1A1HTTEGFRKDR
Propanol SCHEMBL28411721 0.78 HTT (0.60) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL10958235 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL30615149 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL30615130 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL27248760 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL7162825 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HTTEGFRKDR
SCHEMBL7164352 0.76 ENPP1 (0.56) SMN1; SMN2ALDH1A1HTTEGFRKDR

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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-14 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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS ADRB1, ADRB2, ADRB3 SMN1; SMN2 4435/4885ALDH1A1 848/4885HTT 4597/4885

“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.