SCHEMBL19975050

SCHEMBL19975050

O=C(O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 4/20 0.49
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19975052 1.00 HCRTR1 (0.49) HCRTR1HCRTR2KDM4EHSD17B10MAPT
SCHEMBL21291444 0.86 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MCOLN3SMN1; SMN2
SCHEMBL29360904 0.86 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1MCOLN3SMN1; SMN2
SCHEMBL19975023 0.83 FKBP1A (0.48) HCRTR1HCRTR2ALDH1A1MMP13MCOLN3
SCHEMBL5065638 0.83 ALDH1A1 (0.59) KDM4EMAPTALDH1A1HTTMCOLN3
SCHEMBL6926208 0.83 ALDH1A1 (0.59) KDM4EMAPTALDH1A1HTTMCOLN3
SCHEMBL8882067 0.83 ALDH1A1 (0.59) KDM4EMAPTALDH1A1HTTMCOLN3
SCHEMBL2704254 0.81 HCRTR1 (0.70) HCRTR1HCRTR2KDM4EHSD17B10ALDH1A1
SCHEMBL19975007 0.81 HCRTR1 (0.52) HCRTR1HCRTR2KDM4EHSD17B10ALDH1A1
SCHEMBL2704252 0.81 HCRTR1 (0.70) HCRTR1HCRTR2KDM4EHSD17B10ALDH1A1

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 5 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
EP-3512845-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2019-07-24 EP 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 HCRTR1 4289/4885HCRTR2 4253/4885KDM4E 2469/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCRTR1 4289/4885HCRTR2 4253/4885KDM4E 2469/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HCRTR1 4289/4885HCRTR2 4253/4885KDM4E 2469/4885

“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.