SCHEMBL2297392

SCHEMBL2297392

c1ccc(-c2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.78
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PLAT P00750 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
FAAH O00519 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
BAZ2A Q9UIF9 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
Hydrochloric Acid SCHEMBL3768256 0.98 HPGDS (0.76) HPGDSL3MBTL1KMT2AMEN1PLAT
Hydrochloric Acid SCHEMBL1653092 0.98 HPGDS (0.76) HPGDSL3MBTL1KMT2AMEN1PLAT
Bromide SCHEMBL2973216 0.98 HPGDS (0.76) HPGDSL3MBTL1KMT2AMEN1PLAT
SCHEMBL2314256 0.88 HPGDS (1.00) HPGDSL3MBTL1KMT2AMEN1PLAT
SCHEMBL4265265 0.88 HPGDS (0.61) HPGDSL3MBTL1KMT2AMEN1ALDH1A1
Bromide SCHEMBL2984301 0.86 HPGDS (0.60) HPGDSL3MBTL1KMT2AMEN1ALDH1A1
Tert-Butyl Formate SCHEMBL28787887 0.85 HPGDS (0.60) HPGDSL3MBTL1KMT2AMEN1PLAT
SCHEMBL4262100 0.85 HPGDS (0.59) HPGDSL3MBTL1KMT2AMEN1PLAT
SCHEMBL4259512 0.85 HPGDS (0.59) HPGDSL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3772350 0.85 HPGDS (0.59) HPGDSL3MBTL1KMT2AMEN1PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-16 US disclosed
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-20210155601-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-27 US disclosed
US-10858338-B2 Inhibitors for soluble epoxide hydrolase (SEH) and fatty acid amide hydrolase (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-08 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077785-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-14 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
CN-107922347-A New imide derivative and its purposes as medicine 田边三菱制药株式会社 2018-04-17 CN disclosed
WO-2017160861-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-21 WO disclosed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 CN disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2010007966-A1 AZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-01-21 WO disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 HPGDS 962/4885L3MBTL1 2773/4885KMT2A 261/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HPGDS 40/4885L3MBTL1 4698/4885KMT2A 2568/4885
US-11873288-B2 Inhibitors for soluble epoxide hydrolase (sEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 HPGDS 280/4885L3MBTL1 4420/4885KMT2A 1309/4885
US-20210155601-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) FAAH, FAAH2, EPHX2 HPGDS 280/4885L3MBTL1 4420/4885KMT2A 1309/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HPGDS 44/4885L3MBTL1 4755/4885KMT2A 2539/4885
US-10858338-B2 Inhibitors for soluble epoxide hydrolase (SEH) and fatty acid amide hydrolase (FAAH) FAAH, FAAH2, EPHX2 HPGDS 280/4885L3MBTL1 4420/4885KMT2A 1309/4885
US-20190077785-A1 INHIBITORS FOR SOLUBLE EPOXIDE HYDROLASE (SEH) AND FATTY ACID AMIDE HYDROLASE (FAAH) FAAH, FAAH2, EPHX2 HPGDS 280/4885L3MBTL1 4420/4885KMT2A 1309/4885

“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.