SCHEMBL21916524

SCHEMBL21916524

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ SLC10A1 Q14973 6/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ RORC P51449 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
SCHEMBL30095309 0.87 NPC1 (0.41) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL21809721 0.87 NPC1 (0.41) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL16416930 0.85 BACE1 (0.40) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL16421481 0.80 BACE1 (0.42) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL21809600 0.79 NPC1 (0.44) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL16416815 0.79 BACE1 (0.43) MAPTNPC1RAB9APOLBSMN1; SMN2
SCHEMBL21810144 0.79 TSHR (0.41) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL30094790 0.79 TSHR (0.41) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL21809964 0.77 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2BACE1
SCHEMBL21809926 0.75 NPC1 (0.48) MAPTNPC1RAB9ASMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 — — US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 — — 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 (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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP MAPT 1087/4885NPC1 117/4885RAB9A 1300/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP MAPT 1087/4885NPC1 117/4885RAB9A 1300/4885

“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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