SCHEMBL21062142

SCHEMBL21062142

CCOC(=O)C(F)(F)c1c(Br)cc(C(=O)Nc2ccc(F)c(C)c2)n1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 5/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 6/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ F2R P25116 1/20 0.35

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
SCHEMBL21062179 0.82 NPC1 (0.44) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL23456609 0.82 RAB9A (0.41) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL21062035 0.78 MAPT (0.51) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL29390977 0.78 DRD4 (0.36) MAPTTP53ALDH1A1KMT2A
SCHEMBL21062175 0.78 DRD4 (0.36) MAPTTP53ALDH1A1KMT2A
SCHEMBL21809668 0.76 TSHR (0.41) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL21146675 0.76 KDM4E (0.41) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL26089349 0.75 RAB9A (0.51) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL21062047 0.73 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL21146098 0.71 RAB9A (0.41) SMN1; SMN2RAB9ANPC1KDM4EMAPT

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 4 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
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 SMN1; SMN2 3117/4885RAB9A 1300/4885NPC1 117/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP SMN1; SMN2 3117/4885RAB9A 1300/4885NPC1 117/4885

“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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