SCHEMBL21809600

SCHEMBL21809600

Cc1cc(NC(=O)c2cc(C(=O)C(=O)O)n(C)c2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MAOB P27338 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ FKBP5 Q13451 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CREBBP Q92793 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16416906 0.90 BACE1 (0.46) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL21809721 0.85 NPC1 (0.41) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL30095309 0.85 NPC1 (0.41) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL21809964 0.85 NPC1 (0.44) NPC1RAB9AMAOBMAOAMAPT
SCHEMBL21408360 0.84 GRM4 (0.48) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL19881960 0.82 BACE1 (0.48) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL16416857 0.80 RAB9A (0.52) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL19881941 0.80 BACE1 (0.43) NPC1RAB9AKMT2AMAOBMAOA
SCHEMBL21916524 0.79 MAPT (0.37) NPC1RAB9AMAOBMAOAMAPT
SCHEMBL21062141 0.79 NPC1 (0.42) NPC1RAB9AKMT2AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 — — US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 — — US disclosed
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2022-09-22 — — US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
EP-3807246-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-21 — — EP disclosed
CN-112585118-A Hepatitis b capsid assembly modulators 维纳拓尔斯制药公司 2021-03-30 — — CN disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 — — US disclosed
US-10590076-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2020-03-17 — — US 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885KMT2A 4016/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885KMT2A 4016/4885
US-10590076-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885KMT2A 4016/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885KMT2A 4016/4885
US-20220298110-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885KMT2A 4016/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP NPC1 117/4885RAB9A 1300/4885KMT2A 4016/4885

“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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