SCHEMBL18641364

SCHEMBL18641364

[N-]=[N+]=NCc1cnc(CN2CCOCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ PDE7A Q13946 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CXCR4 P61073 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL18641443 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL18641356 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL26759416 0.77 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL18641434 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL18641456 0.77 MEN1 (0.33) SMN1; SMN2CYP1A2CYP3A4CYP2C19GAA
SCHEMBL24823223 0.73 LOXL2 (0.36) —
SCHEMBL17080194 0.73 KAT2B (0.31) —
SCHEMBL28229985 0.72 CCNE1 (0.36) SMN1; SMN2GAAHTTALDH1A1HRH3
SCHEMBL3102187 0.72 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL22042152 0.71 HRH3 (0.59) SMN1; SMN2GAALMNAALDH1A1HRH3

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 33 patents — showing the first 20. 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-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-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-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 — — US disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 — — US disclosed
US-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 — — US disclosed
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 — — EP disclosed
CN-109937201-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2019-06-25 — — CN disclosed
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-13 — — US disclosed
CN-108347943-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2018-07-31 — — CN disclosed
EP-3349580-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 — — EP disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 — — WO disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 — — WO disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 — — WO 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 SMN1; SMN2 4557/4885CYP1A2 1502/4885CYP3A4 422/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885CYP1A2 1502/4885CYP3A4 422/4885
US-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885CYP1A2 1502/4885CYP3A4 422/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885CYP1A2 1502/4885CYP3A4 422/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMN1; SMN2 4610/4885CYP1A2 829/4885CYP3A4 303/4885
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885CYP1A2 1502/4885CYP3A4 422/4885

“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.

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