SCHEMBL22095341

SCHEMBL22095341

COC(=O)c1ccc2nc(C)c(CC(C)C)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 7/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL22095066 0.78 HTT (0.52) GRM1ALOX15HTTNPC1RAB9A
SCHEMBL22095171 0.77 HTT (0.54) ALOX15HTTNPC1RAB9ASMN1; SMN2
SCHEMBL18369634 0.76 HTT (0.52) ALOX15HTTNPC1RAB9ASMN1; SMN2
SCHEMBL2538454 0.76 ALDH1A1 (0.47) ALOX15HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13536819 0.74 GRM1 (0.61) GRM1ALOX15HTTNPC1RAB9A
SCHEMBL10627567 0.74 TDP1 (0.66) ALOX15HTTNPC1RAB9ASMN1; SMN2
SCHEMBL22095112 0.73 GRM1 (0.39) GRM1HSD17B10
SCHEMBL31544141 0.73 ALDH1A1 (0.51) GRM1ALOX15HTTNPC1RAB9A
SCHEMBL31419248 0.73 GRM1 (0.51) GRM1ALOX15HTTNPC1RAB9A
SCHEMBL2315368 0.73 CA1 (0.59) ALOX15HTTSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-05-06 — — 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
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 (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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 SULT1A1, SULT2A1, SULT1E1 GRM1 4114/4885ALOX15 2171/4885HTT 1786/4885
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 SULT1A1, SULT2A1, SULT1E1 GRM1 4114/4885ALOX15 2171/4885HTT 1786/4885

“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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