SCHEMBL3920552

SCHEMBL3920552

COC(=O)c1ccccc1-c1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.61
SLC6A4 P31645 3/20 0.61
SLC6A2 P23975 1/20 0.61
ALDH1A1 P00352 2/20 0.53
CFTR P13569 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
ROCK2 O75116 1/20 0.51
CSF1R P07333 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CDK5 Q00535 1/20 0.51
ROCK1 Q13464 1/20 0.51
SLK Q9H2G2 1/20 0.51

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
SCHEMBL29441687 1.00 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL30285287 0.89 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL28409137 0.88 GAA (0.50) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL27843639 0.85 SLC6A3 (0.74) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL6434822 0.84 MAPT (0.54) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL15266628 0.83 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL30285097 0.83 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL3784759 0.82 ALOX5AP (0.49) ALDH1A1MAPTMEN1KMT2AGRM5
SCHEMBL1854430 0.82 SLC6A3 (0.71) SLC6A3SLC6A4SLC6A2ALDH1A1CFTR
SCHEMBL6434824 0.81 MAPT (0.49) SLC6A3SLC6A4SLC6A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 US disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 US disclosed
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2006-01-05 US disclosed
EP-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
EP-1443934-B1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-04-20 EP disclosed
US-20050026911-A1 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-03 US disclosed
WO-2004101533-A1 1, 3, 4-BENZOTRIAZEPIN-2-ONE SALTS AND THEIR USE AS CCK RECEPTOR LIGANDS JANSSEN PHARMACEUTICA, N.V. (US) 2004-11-25 WO disclosed
EP-1443934-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-08-11 EP disclosed
WO-2003041714-A1 BENZOTRIAZEPINES AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2003-05-22 WO disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 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 (5 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-20050026911-A1 Benzotriazapinone salts and methods for using same H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC13A3, CLIC1 SLC6A3 255/4885SLC6A4 185/4885SLC6A2 197/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SLC6A3 4663/4885SLC6A4 4315/4885SLC6A2 4602/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 SLC6A3 4663/4885SLC6A4 4315/4885SLC6A2 4602/4885
US-20060003993-A1 Benzotriazepnes as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR SLC6A3 950/4885SLC6A4 630/4885SLC6A2 1004/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 SLC6A3 4663/4885SLC6A4 4315/4885SLC6A2 4602/4885

“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.