SCHEMBL17080210

SCHEMBL17080210

COC(=O)c1ccccc1N(Cc1ccccc1)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.50
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL29441709 0.95 POLB (0.49) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL17085960 0.95 POLB (0.49) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL17080189 0.89 HCAR3 (0.58) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL28118618 0.88 AR (0.43) KDM4EGLAALDH1A1MAPTPOLB
SCHEMBL29441730 0.83 VCAM1 (0.50) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL18381542 0.83 VCAM1 (0.50) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL18666979 0.81 HCAR3 (0.50) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL29200760 0.79 MAPT (0.55) HCAR3ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL31612034 0.77 HCAR3 (0.68) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL29441708 0.77 VCAM1 (0.53) HCAR3KDM4EGLAALDH1A1MAPT

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 9 patents. 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-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 US disclosed
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporationt (US) 2018-09-27 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HCAR3 3519/4885KDM4E 1741/4885GLA 4358/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HCAR3 3519/4885KDM4E 1741/4885GLA 4358/4885
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 HCAR3 3519/4885KDM4E 1741/4885GLA 4358/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 HCAR3 3519/4885KDM4E 1741/4885GLA 4358/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 HCAR3 3519/4885KDM4E 1741/4885GLA 4358/4885

“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.