SCHEMBL21146098

SCHEMBL21146098

CCOC(=O)C(F)(F)c1ncc(C(=O)Nc2ccc(F)c(C)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ PTPN11 Q06124 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36

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
SCHEMBL21146099 0.86 PTPN11 (0.42) RAB9ANPC1SMN1; SMN2PTPN11BLM
SCHEMBL21062047 0.80 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2KDM4EBLM
SCHEMBL21064314 0.77 PDE7A (0.42) RAB9ANPC1SMN1; SMN2BACE1BACE2
SCHEMBL29390006 0.77 PDE7A (0.42) RAB9ANPC1SMN1; SMN2BACE1BACE2
SCHEMBL21062035 0.76 MAPT (0.51) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL21062179 0.74 NPC1 (0.44) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL23456609 0.73 RAB9A (0.41) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL21146675 0.73 KDM4E (0.41) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL21062046 0.73 MAPT (0.43) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL21062142 0.71 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 — — US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 — — US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — 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 (2 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-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP RAB9A 1300/4885NPC1 117/4885SMN1; SMN2 3117/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP RAB9A 1300/4885NPC1 117/4885SMN1; SMN2 3117/4885

“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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