SCHEMBL25725635

SCHEMBL25725635

CC(C)c1cccc(Cc2ccno2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MDM4 O15151 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL7374833 0.79 TAAR1 (0.42) TP53SMN1; SMN2TDP1DAO
SCHEMBL13160096 0.77 SMN1; SMN2 (0.38) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL7375842 0.76 PARP1 (0.38) MAPTTP53TSHRPRMT6
SCHEMBL7370038 0.76 MAOB (0.43) KDM4EMAPTALDH1A1CA1CA2
SCHEMBL7376740 0.74 CYP3A4 (0.44) KDM4EALDH1A1CYP3A4ALOX15HTT
SCHEMBL24627336 0.73 RXRA (0.39) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL21721827 0.73 CYP17A1 (0.42) CYP3A4CLK1DYRK1APRMT6
SCHEMBL13160094 0.73 NR3C2 (0.36) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL8776483 0.72 CALM1 (0.50) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL24886124 0.71 PTGS1 (0.45) HDAC4HDAC8KDM4EMAPTMDM4

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 HDAC4 2887/4885HDAC8 3453/4885KDM4E 1188/4885

“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.

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