SCHEMBL5310099

SCHEMBL5310099

O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
KIF18A Q8NI77 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
VCAM1 P19320 4/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ERN1 O75460 1/20 0.37
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 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
SCHEMBL30714119 0.82 S100A4 (0.47) S100A4TRPV1KIF18AKMT2AMEN1
SCHEMBL30714322 0.82 S100A4 (0.47) S100A4TRPV1KIF18AKMT2AMEN1
SCHEMBL5305532 0.82 S100A4 (0.47) S100A4TRPV1KIF18AKMT2AMEN1
SCHEMBL5303668 0.82 S100A4 (0.47) S100A4TRPV1KIF18AKMT2AMEN1
SCHEMBL2646713 0.82 VCAM1 (0.55) S100A4TRPV1VCAM1POLB
SCHEMBL1052777 0.80 KIF18A (0.64) KIF18AVCAM1MAPK1ALDH1A1POLB
SCHEMBL30821752 0.80 KIF18A (0.64) KIF18AVCAM1MAPK1ALDH1A1POLB
SCHEMBL17259 0.80 ALDH1A1 (0.56) S100A4KIF18AKMT2AMEN1MAPK1
SCHEMBL29430338 0.80 ALDH1A1 (0.56) S100A4KIF18AKMT2AMEN1MAPK1
SCHEMBL137704 0.79 TSHR (0.58) KIF18AKMT2AMEN1VCAM1CYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106383-A1 PYRROLIDINYL DERIVATIVES USEFUL AS HCN1/HCN 2 MODULATORS MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
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-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. 2020-11-26 US disclosed
EP-3720495-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS Angex Pharmaceutical, Inc. (US) 2020-10-14 EP disclosed
CN-111741964-A Heterocyclic compounds as PRMT5 inhibitors 安杰斯制药公司 2020-10-02 CN disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 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
CN-109937201-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2019-06-25 CN disclosed
WO-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 WO disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039581-A1 IMIDAZOLYL-SUBSTITUTED DIAZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 EP disclosed
EP-0384276-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP 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 (4 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 S100A4 1173/4885TRPV1 3650/4885KIF18A 3893/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS S100A4 1173/4885TRPV1 3650/4885KIF18A 3893/4885
US-20200369667-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 S100A4 4623/4885TRPV1 4822/4885KIF18A 3620/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS S100A4 1173/4885TRPV1 3650/4885KIF18A 3893/4885

“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.