SCHEMBL22493184

SCHEMBL22493184

COC(=O)Cc1ccc2[nH]c(=O)n(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAOB P27338 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PGR P06401 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ PDE3B Q13370 3/20 0.42
▸ PDE3A Q14432 3/20 0.42
▸ P2RY12 Q9H244 3/20 0.42
▸ PDE2A O00408 2/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL22493206 0.84 MAOB (0.50) MAPTHPGDMAOBALDH1A1LMNA
SCHEMBL22493213 0.82 MAOB (0.46) TSHRMAPTHPGDMAOBALDH1A1
SCHEMBL31397447 0.80 PDE3B (0.41) TSHRMAPTHPGDMAOBALDH1A1
SCHEMBL20529102 0.79 MAOB (0.53) MAOBLMNAPGRBRD4HTR1A
SCHEMBL30279787 0.79 MAOB (0.53) MAOBLMNAPGRBRD4HTR1A
SCHEMBL3921263 0.79 MAOB (0.48) MAPTHPGDMAOBALDH1A1GAA
SCHEMBL9365264 0.78 TSHR (0.46) TSHRMAPTHPGDALDH1A1GAA
SCHEMBL12727792 0.77 MAOB (0.55) MAOBLMNAPGRBRD4HTR1A
SCHEMBL22862695 0.77 TSHR (0.59) TSHRMAPTHPGDALDH1A1GAA
SCHEMBL29490211 0.77 TSHR (0.59) TSHRMAPTHPGDALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 — — US disclosed
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2020-10-01 — — 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 (2 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-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 TSHR 913/4885MAPT 1065/4885HPGD 3925/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 TSHR 913/4885MAPT 1065/4885HPGD 3925/4885

“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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