SCHEMBL29304342

SCHEMBL29304342

CCc1cccc2nn(CF)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ELANE P08246 3/20 0.33
MPO P05164 2/20 0.33
ATM Q13315 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.30
DAO P14920 1/20 0.30
DDO Q99489 1/20 0.30
AR P10275 1/20 0.30
PDE7A Q13946 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
SCHEMBL17680609 0.77 USP7 (0.41) GABRA1GABRB2ELANE
SCHEMBL29303421 0.76 HDAC8 (0.40)
SCHEMBL29304923 0.75 MPO (0.36) GABRA1GABRB2ELANEMPOATM
SCHEMBL17778293 0.73 LOXL2 (0.40) MPOATMTLR8TLR7
SCHEMBL543413 0.73 ATM (0.41) MPOATMTLR8TLR7MEN1
SCHEMBL12787112 0.71 ADORA3 (0.48) MEN1KMT2A
SCHEMBL17682469 0.69 AR (0.39) ATMTLR8TLR7MEN1KMT2A
SCHEMBL21536493 0.68 ALDH1A1 (0.36) GABRA1GABRB2ELANEMPO
SCHEMBL22573203 0.67 ALDH1A1 (0.38) MPOATMTLR8TLR7MEN1
SCHEMBL27780630 0.67 FGFR1 (0.39) MPO

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 GABRA1 133/4885GABRB2 334/4885ELANE 4842/4885

“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.