SCHEMBL782955

SCHEMBL782955

O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1CO

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.73
MEN1 O00255 1/20 0.72
LMNA P02545 1/20 0.72
ALB P02768 1/20 0.72
KMT2A Q03164 1/20 0.72
CHRM1 P11229 7/20 0.64

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
SCHEMBL28465690 0.88 CCKBR (0.71) CCKBRMEN1LMNAALBKMT2A
SCHEMBL30767671 0.88 CCKBR (0.71) CCKBRMEN1LMNAALBKMT2A
SCHEMBL21272207 0.88 CCKBR (0.77) CCKBRMEN1LMNAALBKMT2A
SCHEMBL21272212 0.88 CCKBR (0.77) CCKBRMEN1LMNAALBKMT2A
SCHEMBL11772245 0.88 CCKBR (0.73) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9527025 0.87 CCKBR (0.74) CCKBRMEN1LMNAALBKMT2A
SCHEMBL9527020 0.87 CCKBR (0.74) CCKBRMEN1LMNAALBKMT2A
SCHEMBL20473274 0.86 CCKBR (0.68) CCKBRMEN1LMNAALBKMT2A
SCHEMBL21272180 0.86 CHRM1 (0.77) CCKBRMEN1LMNAALBKMT2A
SCHEMBL21272182 0.86 CHRM1 (0.77) CCKBRMEN1LMNAALBKMT2A

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-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-03-22 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-20120071432-A1 CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS PMP22, INA, SMN1; SMN2 CCKBR 1964/4885MEN1 909/4885LMNA 1095/4885

“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.