SCHEMBL16248202

SCHEMBL16248202

CC(C)c1ncc(Br)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB1 P18505 1/20 0.39
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PAK4 O96013 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HTT P42858 1/20 0.34
PLAU P00749 1/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4334828 0.78 GABRA1 (0.33) GABRA1MAPTHPGDALOX15TP53
SCHEMBL16248205 0.77 GABRA1 (0.42) GABRA1KMT2AMAPTHPGDALOX15
SCHEMBL24249007 0.77 KDM4E (0.44) GABRA1KMT2APLAULMNAGABRB2
SCHEMBL20390069 0.77 S1PR3 (0.51) S1PR1S1PR3PAK4KMT2AMAPT
SCHEMBL12434311 0.77 GABRA1 (0.45) GABRA1GABRB1S1PR1S1PR3PAK4
SCHEMBL20099831 0.75 HTT (0.43) S1PR1S1PR3PAK4KMT2AMAPT
SCHEMBL21736819 0.75 S1PR1 (0.36) GABRA1GABRB1S1PR1S1PR3PAK4
SCHEMBL16139588 0.75 S1PR1 (0.42) S1PR1S1PR3PAK4KMT2AMEN1
SCHEMBL24595051 0.75 GABRA1 (0.39) GABRA1GABRB1GABRB2
SCHEMBL16248201 0.75 GABRA1 (0.39) GABRA1GABRB1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA BOSTON INC. 2025-05-01 US disclosed
CN-118748992-A Novel modulators of aryl hydrocarbon receptors and methods of use thereof 元启(苏州)生物制药有限公司 2024-10-08 CN disclosed
EP-4430028-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2024-09-18 EP disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 WO disclosed
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 WO disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 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-20250136556-A1 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF AHR, ARNT, NR1H2 GABRA1 1071/4885GABRB1 951/4885S1PR1 616/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 GABRA1 2729/4885GABRB1 3064/4885S1PR1 1377/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B GABRA1 2958/4885GABRB1 3211/4885S1PR1 2137/4885

“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.