SCHEMBL21884801

SCHEMBL21884801

N#Cc1ccc(OCc2ccccc2)c(C(=O)Cl)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.52
MAOB P27338 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL21884509 0.90 XDH (0.60) XDHMAOB
SCHEMBL24066320 0.85 XDH (0.50) XDHMAOBMRGPRX4
SCHEMBL21884495 0.82 XDH (0.47) XDHMAOB
SCHEMBL23875025 0.82 XDH (0.53) XDHMRGPRX4
SCHEMBL21885715 0.81 MRGPRX4 (0.48) XDHMAOBMRGPRX4
SCHEMBL21884802 0.78 XDH (0.44) XDHMAOB
SCHEMBL23874972 0.75 XDH (0.55) XDHMAOBMRGPRX4
SCHEMBL1534077 0.75 XDH (0.55) XDHMAOBMRGPRX4
SCHEMBL24066321 0.75 XDH (0.52) XDHMAOBMRGPRX4
SCHEMBL11519443 0.75 FOLH1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 XDH 1075/4885MAOB 2027/4885MRGPRX4 1684/4885

“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.