SCHEMBL17086000

SCHEMBL17086000

CN(C)c1ncc(CNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.53
POLB P06746 4/20 0.52
RXFP1 Q9HBX9 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RAB9A P51151 1/20 0.43
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
SNCA P37840 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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 0.89 TP53 (0.58) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL17086002 0.88 TP53 (0.55) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL18667754 0.88 KMT2A (0.49) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL17086081 0.88 TP53 (0.57) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL17086207 0.88 HPGD (0.56) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL18667456 0.87 TP53 (0.49) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL18381632 0.87 HPGD (0.56) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL17086212 0.86 TP53 (0.55) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL18667151 0.86 TP53 (0.53) TP53MAPTSMN1; SMN2HPGDPOLB
SCHEMBL17086218 0.86 TP53 (0.53) TP53MAPTSMN1; SMN2HPGDPOLB

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.