SCHEMBL19984756

SCHEMBL19984756

O=C(NCc1cnc(-c2ccc(O)cc2)s1)c1ccc2c(c1)NC(=O)c1ccncc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 5/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 2/20 0.36
KDM1A O60341 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SGK1 O00141 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL19984597 0.92 POLB (0.44) ROCK2KMT2APOLBTDP1HPGD
SCHEMBL18667437 0.90 HPGD (0.51) KMT2APOLBTDP1HPGDTP53
SCHEMBL18667763 0.88 TP53 (0.45) ROCK2KMT2APOLBTDP1HPGD
SCHEMBL18667613 0.88 TP53 (0.39) KMT2APOLBTDP1HPGDTP53
SCHEMBL18667620 0.87 TP53 (0.42) KMT2APOLBTDP1HPGDTP53
SCHEMBL18667766 0.87 TP53 (0.46) KMT2APOLBTDP1HPGDTP53
SCHEMBL23018421 0.86 HPGD (0.51) KMT2APOLBTDP1HPGDTP53
SCHEMBL19984599 0.85 POLB (0.46) ROCK2KMT2APOLBTDP1HPGD
SCHEMBL17086084 0.84 HPGD (0.53) KMT2APOLBTDP1HPGDTP53
SCHEMBL19984755 0.83 TP53 (0.41) ROCK2KMT2APOLBTDP1HPGD

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-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
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 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 (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 ROCK2 3592/4885KMT2A 3876/4885POLB 1770/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3592/4885KMT2A 3876/4885POLB 1770/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ROCK2 3592/4885KMT2A 3876/4885POLB 1770/4885

“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.