Sugi Predict

Sugi Predict / Compounds / SCHEMBL1754328

SCHEMBL1754328

SCHEMBL1754328

CC(C)(C)Cc1cccc(-n2cccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 3/20 0.51
▸ MAPT P10636 1/20 0.50
▸ VHL P40337 1/20 0.37
▸ ELOC Q15369 1/20 0.37
▸ ELOB Q15370 1/20 0.37
▸ ESR1 P03372 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ L3MBTL1 Q9Y468 7/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CASP6 P55212 3/20 0.34
▸ CTDSP1 Q9GZU7 3/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ NSD2 O96028 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
SCHEMBL4404602 0.80 IDO1 (0.54) MAPT
SCHEMBL321086 0.79 AOC2 (0.49) AOC2MAPTVHLELOCELOB
SCHEMBL327268 0.79 MGLL (0.55) AOC2MAPTVHLELOCELOB
SCHEMBL8771475 0.79 VHL (0.55) AOC2MAPTVHLELOCELOB
SCHEMBL11327848 0.78 AOC2 (0.56) AOC2MAPTL3MBTL1TDP1FFAR4
SCHEMBL11327859 0.78 AOC2 (0.56) AOC2MAPTL3MBTL1TDP1FFAR4
SCHEMBL19240351 0.77 AOC2 (0.48) AOC2MAPTVHLELOCELOB
Hydrochloric Acid SCHEMBL11333371 0.77 AOC2 (0.55) AOC2MAPTL3MBTL1TDP1FFAR4
Hydrochloric Acid SCHEMBL11333393 0.77 AOC2 (0.55) AOC2MAPTL3MBTL1TDP1FFAR4
SCHEMBL8349954 0.75 PRMT6 (0.59) MAPTL3MBTL1GAAPOLBKDM4E

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-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 — — US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT AOC2 810/4885MAPT 2847/4885VHL 513/4885
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 AOC2 2373/4885MAPT 974/4885VHL 494/4885
US-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 AOC2 1929/4885MAPT 1502/4885VHL 2565/4885

“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.