SCHEMBL21062035

SCHEMBL21062035

CCOC(=O)C(F)(F)c1cc(C(=O)Nc2ccc(F)c(C)c2)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ XBP1 P17861 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL21062046 0.86 MAPT (0.43) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL21145879 0.83 MAPT (0.58) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL21062142 0.78 SMN1; SMN2 (0.42) MAPTKMT2ARAB9ANPC1HTT
SCHEMBL21146675 0.78 KDM4E (0.41) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL21145894 0.77 KCNQ3 (0.51) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL21062481 0.76 MAPT (0.46) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL29387691 0.76 MAPT (0.46) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL23475200 0.76 KCNQ3 (0.48) MAPTKMT2ARAB9ANPSR1MEN1
SCHEMBL21146098 0.76 RAB9A (0.41) MAPTKMT2ARAB9ANPSR1NPC1
SCHEMBL21062179 0.74 NPC1 (0.44) MAPTRAB9ANPSR1NPC1MAPK1

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 MAPT 1087/4885KMT2A 4016/4885RAB9A 1300/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP MAPT 1087/4885KMT2A 4016/4885RAB9A 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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