SCHEMBL387740

SCHEMBL387740

CSc1ccc(Br)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 1/20 0.37
MCL1 Q07820 1/20 0.34
RCOR1 Q9UKL0 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL29504578 1.00 KDM1A (0.37) KDM1AKCNH2KDM1BMCL1RCOR1
SCHEMBL15566427 0.82 IDO1 (0.36) MCL1ALDH1A1HTR7KDM4EGAA
SCHEMBL645965 0.78 ALDH1A1 (0.38) MCL1MAP2K2MAP2K1ALDH1A1HTR7
SCHEMBL28247947 0.77 KDM1A (0.41) KDM1AKCNH2KDM1BRCOR1KIF11
SCHEMBL24194288 0.77 KDM1A (0.34) KDM1AKCNH2KDM1BRCOR1KIF11
SCHEMBL29488670 0.77 KDM1A (0.37) KDM1AKCNH2KDM1BRCOR1
SCHEMBL2111428 0.77 KDM1A (0.37) KDM1AKCNH2KDM1BRCOR1
SCHEMBL387936 0.74 ALDH1A1 (0.40) MCL1ALDH1A1KDM4EGAAMAPT
SCHEMBL4417489 0.74 MAPT (0.40) MCL1MAP2K2MAP2K1ALDH1A1HTR7
SCHEMBL12410552 0.74 MCL1 (0.35) MCL1MAP2K2MAP2K1ALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS META PLATFORMS TECHNOLOGIES, LLC 2024-05-09 US disclosed
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 CN disclosed
US-20230312557-A1 P2X3 MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-10-05 US disclosed
US-20230312557-A1 P2X3 MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.3) LIMITED (GB) 2023-10-05 US disclosed
EP-4103564-A1 P2X3 MODULATORS Bellus Health Cough Inc. (CA) 2022-12-21 EP disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 WO disclosed
EP-3440078-B1 HETEROCYCLIC GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD (IN) 2022-09-28 EP disclosed
WO-2021161105-A1 P2X3 MODULATORS BELLUS HEALTH COUGH INC. (CA) 2021-08-19 WO disclosed
US-10954229-B2 GPR119 agonist compounds MANKIND PHARMA LTD. (IN) 2021-03-23 US disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide GENENTECH, INC. 2008-04-10 US disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
EP-1007515-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS Abbott Laboratories (US) 2000-06-14 EP disclosed
WO-1999010331-A1 ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-03-04 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 (4 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-20230312557-A1 P2X3 MODULATORS P2RX3, P2RX2, P2RX6 KDM1A 4134/4885KCNH2 1748/4885KDM1B 4156/4885
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS AR, OR10J3, ESRRG KDM1A 1930/4885KCNH2 134/4885KDM1B 1678/4885
US-20080085886-A1 Anticancer and/or antiinflammatory activity, MEK (MAP kinase kinase) inhibitors; for example, 3-(2-Fluoro-4-iodo-phenylamino)-furo[3,2-c]pyridine-2-carboxylic acid ((R)-2,3-dihydroxy-propoxy)-amide MAP3K2, MAP3K1, MAP2K2 KDM1A 936/4885KCNH2 3284/4885KDM1B 949/4885
US-10954229-B2 GPR119 agonist compounds GPR119, GPR84, GPR65 KDM1A 2868/4885KCNH2 1015/4885KDM1B 1996/4885

“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.