SCHEMBL17086002

SCHEMBL17086002

CNc1ncc(CNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 1/20 0.54
RXFP1 Q9HBX9 2/20 0.52
POLB P06746 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL17086082 0.90 TP53 (0.58) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL18667813 0.89 HPGD (0.51) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL30751867 0.89 HPGD (0.51) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL18667814 0.89 TP53 (0.51) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL17086081 0.89 TP53 (0.57) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL17086207 0.89 HPGD (0.56) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL17086000 0.88 TP53 (0.54) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL18381632 0.88 HPGD (0.56) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL17086212 0.87 TP53 (0.55) TP53MAPTSMN1; SMN2HPGDRXFP1
SCHEMBL18667151 0.87 TP53 (0.53) TP53MAPTSMN1; SMN2HPGDRXFP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-04-30 US disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 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
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO 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 (10 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 TP53 602/4885MAPT 2680/4885SMN1; SMN2 4496/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 TP53 602/4885MAPT 2680/4885SMN1; SMN2 4496/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS TP53 411/4885MAPT 2896/4885SMN1; SMN2 4557/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS TP53 411/4885MAPT 2896/4885SMN1; SMN2 4557/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS TP53 411/4885MAPT 2896/4885SMN1; SMN2 4557/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS TP53 411/4885MAPT 2896/4885SMN1; SMN2 4557/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS TP53 411/4885MAPT 2896/4885SMN1; SMN2 4557/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 TP53 602/4885MAPT 2680/4885SMN1; SMN2 4496/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS TP53 411/4885MAPT 2896/4885SMN1; SMN2 4557/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 TP53 602/4885MAPT 2680/4885SMN1; SMN2 4496/4885

“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.