SCHEMBL1645217

SCHEMBL1645217

COC(=O)c1ccc2nc(C(C)C)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALOX15 P16050 1/20 0.56
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LCK P06239 1/20 0.47
PTPN11 Q06124 1/20 0.46
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL24219784 0.86 HTT (0.51) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL1643549 0.83 TDP1 (0.49) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27145365 0.81 HTT (0.59) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL31413386 0.81 HTT (0.59) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL4540728 0.80 HTT (0.60) HTTALOX15NPC1RAB9ALCK
SCHEMBL17203103 0.80 HTT (0.60) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL30718816 0.80 HTT (0.60) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL22095066 0.78 HTT (0.52) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL6180023 0.78 NPC1 (0.55) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL1535334 0.78 HTT (0.59) HTTALOX15NPC1RAB9ASMN1; SMN2

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 9 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-2021194914-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-30 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
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
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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 (3 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 HTT 1786/4885ALOX15 2171/4885NPC1 3742/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HTT 3273/4885ALOX15 386/4885NPC1 879/4885
US-12291504-B2 Small molecule inhibition of sulfotransferase SULT1A3 SULT1A1, SULT2A1, SULT1E1 HTT 1786/4885ALOX15 2171/4885NPC1 3742/4885

“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.