SCHEMBL20780490

SCHEMBL20780490

COc1ccc(C(C)C)nc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.41
SLC10A2 Q12908 1/20 0.37
ACVR2A P27037 1/20 0.36
TGFBR2 P37173 1/20 0.36
SMPD3 Q9NY59 1/20 0.35
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
SYK P43405 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NQO1 P15559 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 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
SCHEMBL26937900 0.86 SLC10A2 (0.38) NQO2SLC10A2SMPD3ALOX15ALOX12
SCHEMBL11890405 0.79 NQO2 (0.41) NQO2ACVR2ATGFBR2SMPD3ALOX15
SCHEMBL21238615 0.79 SLC10A2 (0.37) NQO2SLC10A2ALDH1A1KDM4ENQO1
SCHEMBL172434 0.79 KDM4E (0.47) NQO2SLC10A2ALDH1A1KDM4ENQO1
SCHEMBL26860157 0.78 SLC10A2 (0.36) NQO2SLC10A2ALDH1A1KDM4ENQO1
SCHEMBL25911059 0.78 TLR8 (0.42) NQO2SLC10A2KDM4ENPC1GAA
SCHEMBL18611232 0.78 NQO2 (0.37) NQO2SLC10A2ALDH1A1KDM4ENQO1
SCHEMBL15091220 0.78 MCHR1 (0.46) NQO2ACVR2ATGFBR2SYKKCNH2
SCHEMBL9886153 0.75 KDM4E (0.39) NQO2SLC10A2SMPD3ALDH1A1KDM4E
SCHEMBL9885341 0.75 SLC10A2 (0.35) NQO2SLC10A2ALDH1A1NQO1NPC1

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
WO-2023116888-A1 FIVE- AND SIX-MEMBERED COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US disclosed
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2020-07-16 US disclosed
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 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 (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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 NQO2 4202/4885SLC10A2 422/4885ACVR2A 1442/4885
US-20200222406-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 NQO2 1869/4885SLC10A2 64/4885ACVR2A 3657/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 NQO2 1869/4885SLC10A2 64/4885ACVR2A 3657/4885

“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.