SCHEMBL20508384

SCHEMBL20508384

NC(=O)OCc1nnc(Br)s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
POLB P06746 2/20 0.33
HSD17B10 Q99714 3/20 0.33
NQO1 P15559 1/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29057107 0.79 RAB9A (0.43) POLBHSD17B10ALOX15SMN1; SMN2ALDH1A1
SCHEMBL15149636 0.74 F2 (0.64) F2HSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL28639401 0.73 LMNA (0.36) NQO1SMN1; SMN2CYP1A2CYP3A4MAPT
SCHEMBL20508371 0.72 MGAM (0.50) HSD17B10ALOX15SMN1; SMN2ALDH1A1NPC1
SCHEMBL21812656 0.69 LMNA (0.38) NQO1ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL30845136 0.68 FDPS (0.42) HTTALDH1A1CYP3A4MAPT
SCHEMBL28457543 0.67 KDM4E (0.39) NQO1SMN1; SMN2ALDH1A1CYP1A2MAPT
SCHEMBL27652396 0.65 MEN1 (0.30)
SCHEMBL31227464 0.65 ALDH1A1 (0.47) POLBHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL20582493 0.64 L3MBTL1 (0.40) POLBHSD17B10NQO1SMN1; SMN2ALDH1A1

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
EP-3349761-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-26 EP disclosed
US-10392379-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-27 US disclosed
US-20180273520-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Bioscience, Inc. (US) 2018-09-27 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 (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-10392379-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS F2 2930/4885POLB 1965/4885HSD17B10 2051/4885
US-20180273520-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS F2 2930/4885POLB 1965/4885HSD17B10 2051/4885

“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.