SCHEMBL18667142

SCHEMBL18667142

Cc1c(C(=O)NCc2cnc(-c3ccc(OCCCN(C)C)cc3)s2)ccc2c1NC(=O)c1ccccc1S2(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ROCK1 Q13464 1/20 0.35
PARP1 P09874 1/20 0.33
CHEK1 O14757 1/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
PPARA Q07869 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
LSS P48449 1/20 0.32
CXCR1 P25024 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
TP53 P04637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL18667628 0.92 ROCK2 (0.34) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL24221908 0.92 ROCK2 (0.37) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL18667107 0.87 ROCK2 (0.36) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL21250410 0.87 NAMPT (0.35) MAPTHDAC3HDAC1HDAC6NAMPT
SCHEMBL18667626 0.86 HDAC1 (0.37) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL20493849 0.86 SRC (0.43) ROCK2ROCK1HDAC1
SCHEMBL18667216 0.85 EGLN1 (0.37) MAPTHDAC3HDAC1HDAC6NAMPT
SCHEMBL21939692 0.85 ROCK1 (0.42) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL21250368 0.85 ROCK2 (0.34) ROCK2CYP3A4CYP2D6CYP2C9ROCK1
SCHEMBL20493681 0.85 HRH3 (0.35) THRBHRH3

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 8 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-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-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 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
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 US disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 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 (6 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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3353/4885CYP3A4 422/4885CYP2D6 1528/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3353/4885CYP3A4 422/4885CYP2D6 1528/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ROCK2 3353/4885CYP3A4 422/4885CYP2D6 1528/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ROCK2 3353/4885CYP3A4 422/4885CYP2D6 1528/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS ROCK2 3353/4885CYP3A4 422/4885CYP2D6 1528/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3353/4885CYP3A4 422/4885CYP2D6 1528/4885

“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.