SCHEMBL5106372

SCHEMBL5106372

Cc1cc(O)cc(Oc2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
POLB P06746 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ALPL P05186 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
CYP2C19 P33261 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Bromide SCHEMBL4792607 0.93 PTPN1 (0.38) PTPN1POLBCYP2C9ALDH1A1
SCHEMBL11205508 0.88 BACE1 (0.35)
Diorcinol SCHEMBL29629136 0.74 ALDH1A1 (0.60) PTPN1POLBALDH1A1CYP3A4HCAR1
Diorcinol SCHEMBL28744720 0.74 ALDH1A1 (0.60) PTPN1POLBALDH1A1CYP3A4HCAR1
SCHEMBL11204242 0.74 ALDH1A1 (0.42) CYP2C9ALDH1A1ALPLCYP3A4CYP2C19
SCHEMBL9505524 0.67 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL11209033 0.66 MAOB (0.43)
SCHEMBL29215231 0.65 LTA4H (0.54) PTPN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL296714 0.64 PTPN1 (0.67) PTPN1POLBALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31507600 0.64 PTPN1 (0.67) PTPN1POLBALDH1A1CYP3A4SMN1; SMN2

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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS PTPN1 4039/4885POLB 2371/4885CYP2C9 358/4885

“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.