SCHEMBL7068822

SCHEMBL7068822

O=C(O)C1C=c2ccccc2=N1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
EDNRA P25101 1/20 0.31
CES2 O00748 2/20 0.30
CES1 P23141 2/20 0.30
SRD5A2 P31213 1/20 0.30
ALDH1A1 P00352 2/20 0.30
ALOX15 P16050 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
SCHEMBL3044365 0.72 TSHR (0.42) DAOTSHRNAPRTNPSR1EDNRA
SCHEMBL3715233 0.68 DAO (0.31) DAOTSHRNAPRT
SCHEMBL27498228 0.68 NPSR1 (0.32) NPSR1
SCHEMBL27327789 0.68 MEN1 (0.31) ALDH1A1
SCHEMBL10111693 0.67
SCHEMBL29056026 0.67 DAO (0.30) DAOTSHRNAPRT
SCHEMBL8846354 0.67
SCHEMBL28309978 0.66
Hydrochloric Acid SCHEMBL28310644 0.64
SCHEMBL30676463 0.63 NOS2 (0.33)

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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed

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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 DAO 1701/4885TSHR 1445/4885NAPRT 3488/4885

“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.