SCHEMBL18548321

SCHEMBL18548321

CC(C)(Cl)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 3/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
TAAR1 Q96RJ0 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR2A P28223 1/20 0.33
POLB P06746 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL45199 0.85 MEN1 (0.41) ALDH1A1ALOX15MAPK1MEN1KMT2A
SCHEMBL756324 0.78 PDE2A (0.50) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL7756833 0.77 TSHR (0.50) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL4460794 0.77 CYP2A6 (0.50) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL31497684 0.77 ESR1 (0.52) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL9785061 0.77 KIF11 (0.44) MEN1KMT2ANPC1RAB9A
SCHEMBL5758 0.77 TSHR (0.55) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL5080121 0.77 CYP2A6 (0.50) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL3953416 0.77 ESR1 (0.52) CYP2A6ALDH1A1CA1CA2CA5A
SCHEMBL15784485 0.77 CYP2A6 (0.50) CYP2A6ALDH1A1CA1CA2CA5A

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 7 patents. 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
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
EP-3339296-A1 HYDROXYTRIAZINE COMPOUND AND MEDICAL USE THEREOF Japan Tobacco, Inc. (JP) 2018-06-27 EP disclosed
US-20170057943-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-03-02 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 (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-20210024486-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGS1, PTGIS, PTGES CYP2A6 2164/4885ALDH1A1 618/4885CA1 617/4885
US-20240076278-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGS1, PTGIS, PTGES CYP2A6 2164/4885ALDH1A1 618/4885CA1 617/4885
US-12492182-B2 Hydroxytriazine compounds and pharmaceutical use thereof PTGS1, PTGIS, PTGES CYP2A6 2164/4885ALDH1A1 618/4885CA1 617/4885
US-20170057943-A1 HYDROXYTRIAZINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF PTGS1, PTGIS, PTGES CYP2A6 2164/4885ALDH1A1 618/4885CA1 617/4885

“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.