SCHEMBL30456789

SCHEMBL30456789

Cc1cc(C(F)(F)F)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.32
POLQ O75417 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
LOX P28300 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OPRL1 P41146 3/20 0.31
IDO1 P14902 2/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL2998384 1.00 HSP90AA1 (0.38) HSP90AA1HSP90AB1TRPV4CA2CHKA
SCHEMBL14244584 0.81
SCHEMBL17711455 0.81 MLYCD (0.35)
SCHEMBL16418610 0.81 GAA (0.32) EGLN2UHRF1
SCHEMBL14183073 0.80 NOS3 (0.44) HSP90AA1HSP90AB1TRPV4CA2CHKA
SCHEMBL30374789 0.79 UHRF1 (0.54) HSP90AA1HSP90AB1TRPV4CA2CHKA
SCHEMBL1506481 0.79 UHRF1 (0.54) HSP90AA1HSP90AB1TRPV4CA2CHKA
SCHEMBL152858 0.78 ABL1 (0.34) EGLN2OPRL1OPRM1
SCHEMBL30593162 0.77 NT5E (0.41) TRPV4CA2CHKAKDM4ELMNA
SCHEMBL31119088 0.77 TRPV4 (0.39) TRPV4CA2CHKAKDM4ELOXL2

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 HSP90AA1 4708/4885HSP90AB1 4655/4885TRPV4 2461/4885

“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.