SCHEMBL22095534

SCHEMBL22095534

COCc1ccc2nc(CC(C)C)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.40
▸ TEC P42680 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CYSLTR1 Q9Y271 5/20 0.34
▸ CYSLTR2 Q9NS75 3/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ GPBAR1 Q8TDU6 2/20 0.33
▸ PTPN1 P18031 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
SCHEMBL22095064 0.81 CYSLTR1 (0.40) PDE10AALOX5APCA2CYSLTR1CYSLTR2
SCHEMBL22095235 0.81 PDE10A (0.37) PDE10ATECALOX5APTLR7CYP1A2
SCHEMBL19513121 0.79 PDE10A (0.36) PDE10ALMNAALOX5APTLR7CYP1A2
SCHEMBL22094948 0.74 BACE1 (0.49) PDE10ALMNACYP1A2HDAC1HDAC2
SCHEMBL21481980 0.74 TEC (0.49) PDE10ATECLMNATP53CA2
SCHEMBL22110467 0.73 DPP4 (0.47) LMNATP53CYSLTR1CYSLTR2CYP1A2
SCHEMBL22095066 0.72 HTT (0.52) LMNACA2CYSLTR1TLR7
SCHEMBL4194127 0.72 LMNA (0.50) LMNATP53CA2CYP1A2PTPN1
SCHEMBL29871774 0.72 LMNA (0.50) LMNATP53CA2CYP1A2PTPN1
SCHEMBL24219776 0.71 HDAC1 (0.36) PDE10ACYP1A2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
US-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — WO disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — WO 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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 SULT1A1, SULT2A1, SULT1E1 PDE10A 3288/4885TEC 2800/4885LMNA 4768/4885

“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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