SCHEMBL30456422

SCHEMBL30456422

Cc1cc2ncccc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A2 P43354 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL3587363 1.00 ALDH1A1 (0.53) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL20278401 0.92 ALDH1A1 (0.53) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL8404544 0.84 ALDH1A1 (0.61) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL31186675 0.84 ALDH1A1 (0.61) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL3344562 0.81 CASP6 (0.62) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
Hydrochloric Acid SCHEMBL21591916 0.79 CASP6 (0.61) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL1163802 0.77 HTT (0.53) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL22324148 0.77 ALDH1A1 (0.53) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL28370443 0.77 CASP6 (0.62) ALDH1A1HTTCYP1A2CYP2C19PDGFRB
SCHEMBL30540041 0.77 HTT (0.53) ALDH1A1HTTCYP1A2CYP2C19PDGFRB

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 ALDH1A1 622/4885HTT 2614/4885CYP1A2 632/4885

“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.