SCHEMBL21062127

SCHEMBL21062127

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ DGAT1 O75907 1/20 0.37
▸ HTR2B P41595 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL29390504 1.00 MAOB (0.37) MAOBMAOADGAT1HTR2BABL1
SCHEMBL21062183 0.92 SLC10A1 (0.38) MAOBMAOAABL1NPC1RAB9A
SCHEMBL29387603 0.90 NAMPT (0.36) MAOBMAOAABL1NPC1RAB9A
SCHEMBL29387634 0.90 NAMPT (0.36) MAOBMAOAABL1NPC1RAB9A
SCHEMBL21146046 0.90 NAMPT (0.36) MAOBMAOAABL1NPC1RAB9A
SCHEMBL21146044 0.90 NAMPT (0.36) MAOBMAOAABL1NPC1RAB9A
SCHEMBL21146183 0.90 NAMPT (0.36) MAOBMAOAABL1NPC1RAB9A
SCHEMBL29390077 0.86 HTT (0.39) MAOBMAOAHTR2BABL1NPC1
SCHEMBL21146219 0.86 HTT (0.39) MAOBMAOAHTR2BABL1NPC1
SCHEMBL21062141 0.86 NPC1 (0.42) MAOBMAOAHTR2BABL1NPC1

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 6 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-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
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 MAOB 2822/4885MAOA 4277/4885DGAT1 2608/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP MAOB 2822/4885MAOA 4277/4885DGAT1 2608/4885

“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.

Send feedback