SCHEMBL2263076

SCHEMBL2263076

O=Cc1cccc(C(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
UNG P13051 1/20 0.44
CYP2A6 P11509 1/20 0.42
TYR P14679 1/20 0.40
SRC P12931 1/20 0.39
DRD1 P21728 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NOTUM Q6P988 1/20 0.37
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL31124696 1.00 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL7141606 0.83 ALDH1A1 (0.45) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL30291836 0.83 TYR (0.56) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL727874 0.83 TYR (0.56) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL2536000 0.82 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6SRCDRD1
SCHEMBL29756201 0.79 ALDH1A1 (0.50) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL4950119 0.78 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL4952311 0.78 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL4808239 0.78 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6TYRSRC
SCHEMBL2937253 0.78 ALDH1A1 (0.48) ALDH1A1UNGCYP2A6TYRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113382767-B Urea compounds having substituents 第一三共株式会社 2024-12-24 CN disclosed
WO-2024199457-A1 COMPOUND HAVING RING FUSED STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 苏州安赛隆医药科技有限公司 2024-10-03 WO disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-17 US disclosed
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 EP disclosed
CN-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 CN disclosed
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-23 US disclosed
US-11299490-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2022-04-12 US disclosed
WO-2022013728-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-01-20 WO disclosed
EP-3915558-A1 SUBSTITUENT-INCLUDING UREA COMPOUND Daiichi Sankyo Company, Limited (JP) 2021-12-01 EP disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
CN-101679432-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2010-03-24 CN disclosed
US-20100056592-A1 PRODRUGS OF (3,5-BIS(4-FLUOROPHENYL)TETRAHYDRO-1H-OXAZOLO[3,4-C]OXAZOL-7A-YL)METHANOL AND DERIVATIVES THEREOF UNIVERSITY OF KANSAS 2010-03-04 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7598282-B2 (3R,5S,7as)-(3,5-bis(4-fluorophenyl)tetrahydro-1H-oxazolo[3,4-c]oxazol-7a-yl)methanol; does not involve microtubule stabilization; Alzheimer's UNIVERSITY OF KANSAS (US) 2009-10-06 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2007053684-A2 NEUROPROTECTIVE AGENTS UNIVERSITY OF KANSAS (US) 2007-05-10 WO disclosed
US-20070099971-A1 Neuroprotective agents UNIVERSITY OF KANSAS 2007-05-03 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 (7 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-20100056592-A1 PRODRUGS OF (3,5-BIS(4-FLUOROPHENYL)TETRAHYDRO-1H-OXAZOLO[3,4-C]OXAZOL-7A-YL)METHANOL AND DERIVATIVES THEREOF OXA1L, ADH1A, ADH1C ALDH1A1 10/4885UNG 770/4885CYP2A6 175/4885
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT SIRT6, SIRT1, SIRT2 ALDH1A1 618/4885UNG 861/4885CYP2A6 416/4885
US-20070099971-A1 Neuroprotective agents MAP4, MAP1LC3A, TUBB4A ALDH1A1 1371/4885UNG 4232/4885CYP2A6 4126/4885
US-20230257372-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 ALDH1A1 501/4885UNG 2240/4885CYP2A6 2096/4885
US-11299490-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B ALDH1A1 2797/4885UNG 3377/4885CYP2A6 616/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 ALDH1A1 806/4885UNG 3033/4885CYP2A6 156/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC ALDH1A1 2113/4885UNG 2675/4885CYP2A6 1331/4885

“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.