Sugi Predict

Sugi Predict / Compounds / SCHEMBL279009

SCHEMBL279009

SCHEMBL279009

CC(C)(C)c1cc(F)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KEAP1 Q14145 1/20 0.41
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ BACE1 P56817 1/20 0.32

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
SCHEMBL278779 0.84 PGR (0.42) ALDH1A1PTGS1PTGS2FFAR4MEN1
SCHEMBL1248161 0.83 PGR (0.49) ALDH1A1KEAP1PTGS1PTGS2SMN1; SMN2
SCHEMBL14443262 0.82 ALDH1A1 (0.44) ALDH1A1KEAP1PTGS1PTGS2L3MBTL1
SCHEMBL2695098 0.79 GRM5 (0.39) ALDH1A1PTGS1PTGS2FFAR4
SCHEMBL185520 0.79 ALDH1A1 (0.52) ALDH1A1KEAP1SMN1; SMN2IDO1FFAR4
SCHEMBL13403327 0.78 PTGS1 (0.42) ALDH1A1PTGS1PTGS2SMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL4372850 0.77 IDO1 (0.52) ALDH1A1KEAP1SMN1; SMN2IDO1FFAR4
Hydrochloric Acid SCHEMBL8996706 0.77 IDO1 (0.52) ALDH1A1KEAP1SMN1; SMN2IDO1FFAR4
SCHEMBL9503147 0.76 TSHR (0.43) ALDH1A1SMN1; SMN2L3MBTL1GAAMAPT
SCHEMBL2154357 0.76 PGR (0.50) ALDH1A1PTGS1PTGS2SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040911-B As NAV1.8 2, 3-Dihydro-quinazoline Compounds as inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-10-22 — — CN disclosed
US-11724987-B2 Compositions and methods of treating retinal disease ALDEYRA THERAPEUTICS, INC. (US) 2023-08-15 — — US disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 — — US disclosed
EP-3990436-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2022-05-04 — — EP disclosed
CN-114040911-A As NAV1.8 inhibitors of 2, 3-dihydroquinazoline compounds 葛兰素史密斯克莱知识产权发展有限公司 2022-02-11 — — CN disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — WO disclosed
US-20180194733-A1 COMPOSITIONS AND METHODS OF TREATING RETINAL DISEASE NEURON SYSTEMS, INC. 2018-07-12 — — US disclosed
US-9896419-B2 Compositions and methods of treating retinal disease ALDEYRA THERAPEUTICS, INC. (US) 2018-02-20 — — US disclosed
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION 2017-12-07 — — US disclosed
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2011-06-09 — — US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 — — US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 — — US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 — — US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 — — US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 — — US disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 — — 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 (11 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 ALDH1A1 1714/4885KEAP1 2041/4885PTGS1 1750/4885
US-11724987-B2 Compositions and methods of treating retinal disease ALDH1A2, PLA2G2E, CLN6 ALDH1A1 725/4885KEAP1 580/4885PTGS1 308/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 ALDH1A1 2855/4885KEAP1 1693/4885PTGS1 2277/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B ALDH1A1 3102/4885KEAP1 1153/4885PTGS1 1846/4885
US-20170349540-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 ALDH1A1 1137/4885KEAP1 1089/4885PTGS1 3686/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 ALDH1A1 1572/4885KEAP1 821/4885PTGS1 833/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 ALDH1A1 339/4885KEAP1 1097/4885PTGS1 3041/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 ALDH1A1 739/4885KEAP1 298/4885PTGS1 2540/4885
US-20180194733-A1 COMPOSITIONS AND METHODS OF TREATING RETINAL DISEASE ALDH1A2, CLN6, PLA2G2E ALDH1A1 742/4885KEAP1 549/4885PTGS1 271/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 ALDH1A1 957/4885KEAP1 311/4885PTGS1 1507/4885
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS HDAC1, HDAC8, HDAC11 ALDH1A1 1388/4885KEAP1 1261/4885PTGS1 806/4885

“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.