Sugi Predict

Sugi Predict / Compounds / SCHEMBL4035681

SCHEMBL4035681

SCHEMBL4035681

O=C(O)CCc1c(Br)cccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR17 Q13304 6/20 0.57
▸ KEAP1 Q14145 1/20 0.50
▸ FFAR1 O14842 5/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.45
▸ THRA P10827 3/20 0.44
▸ THRB P10828 3/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ AR P10275 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL27168527 0.87 AKR1B1 (0.53) GPR17KEAP1FFAR1THRATHRB
SCHEMBL11522364 0.82 GPR17 (0.47) GPR17KEAP1FFAR1FFAR4THRA
SCHEMBL28137614 0.81 FBP1 (0.54) GPR17FFAR1
SCHEMBL12719449 0.81 GPR17 (0.41) GPR17FFAR1FFAR4THRATHRB
SCHEMBL4035219 0.80 TDP1 (0.52) KDM4EALDH1A1HDAC3MAPK1HDAC4
SCHEMBL8183586 0.78 GPR17 (0.38) GPR17ALDH1A1
SCHEMBL4641301 0.78 FFAR1 (0.49) GPR17KEAP1FFAR1FFAR4THRA
SCHEMBL19475267 0.77 AKR1B1 (0.56) GPR17KDM4EALDH1A1
SCHEMBL29564062 0.77 KEAP1 (0.60) GPR17KEAP1FFAR1FFAR4KDM4E
SCHEMBL311067 0.77 KEAP1 (0.60) GPR17KEAP1FFAR1FFAR4KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 — — US claimed
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2022-11-08 — — US disclosed
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 — — EP disclosed
EP-3661929-B1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC (US) 2021-07-14 — — EP disclosed
US-20210093606-A1 COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2021-04-01 — — US disclosed
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 — — CN disclosed
US-10780074-B2 Compounds and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-09-22 — — US disclosed
EP-3661929-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF Sunovion Pharmaceuticals Inc. (US) 2020-06-10 — — EP disclosed
CN-107253963-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-04-14 — — CN disclosed
CN-110818724-A Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-02-21 — — CN disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 — — WO disclosed
WO-2019028165-A1 ISOCHROMAN COMPOUNDS AND USES THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2019-02-07 — — WO disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 — — US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 — — US disclosed
CN-101918375-A Benzodiazepinone compounds useful in the treatment of skin conditions UNIV MICHIGAN 2010-12-15 — — CN disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 — — EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 — — WO disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 — — WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — 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 (5 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 GPR17 1727/4885KEAP1 511/4885FFAR1 1364/4885
US-20210093606-A1 COMPOUNDS AND USES THEREOF PYGB, NLN, MAOB GPR17 991/4885KEAP1 458/4885FFAR1 3200/4885
US-10780074-B2 Compounds and uses thereof PYGB, NLN, MAOB GPR17 991/4885KEAP1 458/4885FFAR1 3200/4885
US-11491133-B2 Heteroaryl-isochroman compounds and uses thereof GRIN2C, INA, SDHA GPR17 2689/4885KEAP1 776/4885FFAR1 3391/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK GPR17 546/4885KEAP1 906/4885FFAR1 4043/4885

“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.