SCHEMBL3238012

SCHEMBL3238012

CC(C)c1cc(Br)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
PYCR1 P32322 1/20 0.35
CYP2A6 P11509 1/20 0.34
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL30609618 1.00 GABRA1 (0.46) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL22409931 0.84 ALDH1A1 (0.39) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL1396970 0.83 ALDH1A1 (0.42) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL16962926 0.83 ALDH1A1 (0.38) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL28954855 0.83 ALDH1A1 (0.42) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL1397083 0.83 ALDH1A1 (0.38) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL29901066 0.83 ALDH1A1 (0.42) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL2413818 0.82 MAPK1 (0.42) GABRA1GABRB1ALDH1A1MAPK1LMNA
SCHEMBL15459963 0.78 GABRA1 (0.52) GABRA1GABRB1ALDH1A1MAPK1HPGD
SCHEMBL27542431 0.78 ALDH1A1 (0.46) GABRA1GABRB1ALDH1A1MAPK1HPGD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492182-B2 Hydroxytriazine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2025-12-09 US disclosed
WO-2024103400-A1 POLYCYCLIC COMPOUND AS GPR75 ACTIVATOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 水木未来(北京)科技有限公司 2024-05-23 WO disclosed
US-20240076278-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-03-07 US disclosed
EP-4046991-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2022-08-24 EP disclosed
CN-108137515-B Hydroxy triazine compound and medical use thereof 日本烟草产业株式会社 2021-07-06 CN disclosed
US-20210024486-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-01-28 US disclosed
US-20200165272-A1 BORATE COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USES THEREOF CHENGDU ORIGIN BIOTECHNOLOGY LIMITED COMPANY (CN) 2020-05-28 US disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
WO-2019020099-A1 BORATE COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USES THEREOF 成都地奥九泓制药厂 2019-01-31 WO disclosed
EP-3339296-A1 HYDROXYTRIAZINE COMPOUND AND MEDICAL USE THEREOF Japan Tobacco, Inc. (JP) 2018-06-27 EP disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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 (7 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 GABRA1 1485/4885GABRB1 1476/4885ALDH1A1 4161/4885
US-20210024486-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGS1, PTGIS, PTGES GABRA1 4131/4885GABRB1 3653/4885ALDH1A1 618/4885
US-20200165272-A1 BORATE COMPOUND, AND SYNTHESIS METHOD THEREFOR AND USES THEREOF PSMB11, PSMC5, SEM1 GABRA1 585/4885GABRB1 641/4885ALDH1A1 3956/4885
US-20240076278-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGS1, PTGIS, PTGES GABRA1 4131/4885GABRB1 3653/4885ALDH1A1 618/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 GABRA1 194/4885GABRB1 179/4885ALDH1A1 986/4885
US-12492182-B2 Hydroxytriazine compounds and pharmaceutical use thereof PTGS1, PTGIS, PTGES GABRA1 4131/4885GABRB1 3653/4885ALDH1A1 618/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 GABRA1 699/4885GABRB1 979/4885ALDH1A1 2289/4885

“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.