SCHEMBL17085960

SCHEMBL17085960

COC(=O)c1ccc(N(Cc2ccccc2)c2ccccc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
VCAM1 P19320 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
HCAR3 P49019 2/20 0.43
VDR P11473 1/20 0.43

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 1.00 POLB (0.49) POLBVCAM1KDM4EGLALMNA
SCHEMBL17080210 0.95 HCAR3 (0.50) POLBKDM4EGLALMNAMEN1
SCHEMBL28118618 0.88 AR (0.43) POLBKDM4EGLALMNAMEN1
SCHEMBL18381542 0.88 VCAM1 (0.50) POLBVCAM1KDM4EGLALMNA
SCHEMBL29441730 0.88 VCAM1 (0.50) POLBVCAM1KDM4EGLALMNA
SCHEMBL18666979 0.86 HCAR3 (0.50) POLBVCAM1KDM4EGLALMNA
SCHEMBL29200760 0.84 MAPT (0.55) POLBVCAM1MEN1KMT2AALDH1A1
SCHEMBL17080189 0.84 HCAR3 (0.58) POLBKDM4EGLAMEN1KMT2A
SCHEMBL29441708 0.82 VCAM1 (0.53) POLBVCAM1KDM4EGLALMNA
SCHEMBL17086143 0.82 VCAM1 (0.53) POLBVCAM1KDM4EGLALMNA

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 7 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
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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US 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 (4 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 POLB 2239/4885VCAM1 3287/4885KDM4E 1741/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 POLB 2239/4885VCAM1 3287/4885KDM4E 1741/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 POLB 2239/4885VCAM1 3287/4885KDM4E 1741/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 POLB 2239/4885VCAM1 3287/4885KDM4E 1741/4885

“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.