SCHEMBL697265

SCHEMBL697265

O=C(OCCl)OC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
HTT P42858 2/20 0.41
NAAA Q02083 2/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP19A1 P11511 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 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
SCHEMBL4690944 0.96 EPHX1 (0.46) EPHX1HTTNAAACYP2C19APOBEC3A
SCHEMBL1996146 0.94 EPHX1 (0.48) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL12988069 0.91
SCHEMBL12987688 0.84 L3MBTL1 (0.38) EPHX1HTTNAAAL3MBTL1
SCHEMBL12987058 0.84 RAB9A (0.36) EPHX1HTTCHRM2CHRM4CHRM1
SCHEMBL12987621 0.84 DPP4 (0.36) EPHX1HTTCHRM2CHRM4CHRM1
SCHEMBL6016919 0.82 L3MBTL1 (0.35) EPHX1HTTL3MBTL1
SCHEMBL12987194 0.82 CYP19A1 (0.41) EPHX1HTTAPOBEC3AAPOBEC3GCYP19A1
SCHEMBL21611826 0.80 PLG (0.38) EPHX1HTTSMN1; SMN2
SCHEMBL697833 0.78 EPHX1 (0.37) EPHX1HTTNAAACYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
US-9907796-B2 Methods of treating tumoral diseases, or bacterial or viral infections INHIBIKASE THERAPEUTICS, INC. (US) 2018-03-06 US claimed
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections SPHAERA PHARMA PTE. LTD. (SG) 2017-01-05 US claimed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 EP claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 US claimed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 WO claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 US disclosed
US-20240217936-A1 5-BENZYLIMIDAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF WEST CHINA HOSPITAL, SICHUAN UNIVERSITY (CN) 2024-07-04 US disclosed
EP-4317135-A1 5-BENZYLIMIDAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF West China Hospital, Sichuan University (CN) 2024-02-07 EP disclosed
CN-115197148-B 5-benzyl imidazole compound and preparation method and application thereof 四川大学华西医院 2023-12-12 CN disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 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 (8 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS EPHX1 2357/4885HTT 4294/4885NAAA 2054/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS EPHX1 808/4885HTT 1747/4885NAAA 1296/4885
US-20170000789-A1 Methods of Treating Tumoral Diseases, or Bacterial or Viral Infections POLI, RNASE1, VHL EPHX1 2104/4885HTT 2031/4885NAAA 425/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885HTT 1110/4885NAAA 1565/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885HTT 1110/4885NAAA 1565/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B EPHX1 2108/4885HTT 515/4885NAAA 2209/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS EPHX1 2044/4885HTT 3608/4885NAAA 975/4885
US-20240217936-A1 5-BENZYLIMIDAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, WASF2, CYP3A5 EPHX1 3883/4885HTT 4271/4885NAAA 3839/4885

“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.