SCHEMBL21291409

SCHEMBL21291409

CC1=C(C)C(=O)Nc2cc(C(=O)NCc3cnc(-c4ccc(C#N)cc4F)s3)ccc2S1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 15/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KLKB1 P03952 1/20 0.39
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RAB9A P51151 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
SCHEMBL18667774 0.89 TP53 (0.48) EGLN1POLBKMT2ATDP1
SCHEMBL19984758 0.88 EGLN1 (0.41) EGLN1POLBKMT2ATDP1ROCK2
SCHEMBL21291405 0.87 EGLN1 (0.42) EGLN1KLKB1ROCK2ROCK1
SCHEMBL21291407 0.86 EGLN1 (0.42) EGLN1KLKB1ROCK2ROCK1
SCHEMBL18667815 0.81 EGLN1 (0.45) EGLN1KLKB1ROCK2
SCHEMBL21291308 0.81 EGLN1 (0.40) EGLN1KLKB1ROCK2
SCHEMBL18667414 0.81 EGLN1 (0.44) EGLN1POLBKMT2A
SCHEMBL18667797 0.80 TP53 (0.47) EGLN1POLBKMT2ATDP1
SCHEMBL18667573 0.79 EGLN1 (0.40) EGLN1POLBKMT2ATDP1ROCK2
SCHEMBL19984690 0.79 IP6K1 (0.41) EGLN1

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-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 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 (3 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS EGLN1 3738/4885POLB 1770/4885KMT2A 3876/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS EGLN1 3738/4885POLB 1770/4885KMT2A 3876/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS EGLN1 3738/4885POLB 1770/4885KMT2A 3876/4885

“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.