SCHEMBL248518

SCHEMBL248518

COc1cccc(CC=O)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MPO P05164 1/20 0.39
BTK Q06187 1/20 0.38
ADORA2A P29274 1/20 0.37
NFE2L2 Q16236 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ALOX5 P09917 2/20 0.35
IDH1 O75874 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GRM5 P41594 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
SCHEMBL13680832 0.82 KDM1A (0.40) KDM1AMAOAMAOBMPOBTK
SCHEMBL21597035 0.82 MAPK8 (0.46) BTKADORA2AGRM5
SCHEMBL624018 0.81 KDM1A (0.41) KDM1AMAOAMAOBMPOBTK
SCHEMBL22482055 0.80 PGK1 (0.43)
Formic Acid SCHEMBL29095784 0.79 KDM1A (0.40) KDM1AMAOAMAOBMPOBTK
SCHEMBL28332129 0.79 KDM1A (0.40) KDM1AMAOAMAOBMPOBTK
SCHEMBL1569730 0.79 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL13082211 0.78 KCNH2 (0.39)
Formic Acid Methyl Ester SCHEMBL31051630 0.77 KDM1A (0.39) KDM1AMAOAMAOBMPOBTK
SCHEMBL14626155 0.77 KDM1A (0.48) KDM1AMAOAMAOBMPOBTK

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023208986-A1 IMIDAZOLE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-11-02 WO disclosed
WO-2022210479-A1 USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES 日本ケミファ株式会社 2022-10-06 WO disclosed
CN-114761082-A Azepane derivatives 日本化学药品株式会社 2022-07-15 CN disclosed
EP-3810595-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 US disclosed
EP-3727381-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 Pharmaceuticals, Inc. (US) 2020-10-28 EP disclosed
CN-111655261-A Acyclic CXCR4 inhibitors and uses thereof X4 制药有限公司 2020-09-11 CN disclosed
WO-2019243531-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
EP-2970183-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS Musc Foundation for Research Development (US) 2016-01-20 EP disclosed
EP-2885306-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-06-24 EP disclosed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
WO-2014160143-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-10-02 WO disclosed
WO-2014026881-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 WO disclosed
EP-2588465-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2013-05-08 EP disclosed
WO-2012003405-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-05 WO disclosed
US-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 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 (2 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-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 C1R, HTR4, HTR2C KDM1A 1433/4885MAOA 253/4885MAOB 241/4885
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 KDM1A 4114/4885MAOA 3280/4885MAOB 2756/4885

“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.