SCHEMBL13484

SCHEMBL13484

CC(C)c1cc(Br)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB1 P18505 1/20 0.38
EIF4A3 P38919 1/20 0.36
KDM1A O60341 4/20 0.33
KDM1B Q8NB78 2/20 0.33
KCNH2 Q12809 2/20 0.31
GABRB2 P47870 1/20 0.31
ADRB2 P07550 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PDE2A O00408 1/20 0.31
APLNR P35414 2/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL12413927 0.91 GABRA1 (0.38) GABRA1GABRB1EIF4A3KDM1AKDM1B
SCHEMBL25796892 0.88 GABRA1 (0.39) GABRA1GABRB1EIF4A3KDM1AKDM1B
SCHEMBL24869449 0.86 GABRA1 (0.38) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL15706603 0.82 LMNA (0.38) GABRA1GABRB1EIF4A3KDM1AKDM1B
SCHEMBL13319560 0.82 EIF4A3 (0.41) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL26832324 0.80 AHR (0.35) GABRA1GABRB1EIF4A3KDM1AKDM1B
SCHEMBL12868984 0.80 GABRA1 (0.43) GABRA1GABRB1GABRB2ADRB2CA1
SCHEMBL14629520 0.80 GABRA1 (0.43) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL1911426 0.79 EIF4A3 (0.40) GABRA1GABRB1EIF4A3GABRB2ADRB2
SCHEMBL12173270 0.79 EIF4A3 (0.42) GABRA1GABRB1EIF4A3GABRB2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-25 US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-8569310-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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 (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-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 GABRA1 281/4885GABRB1 334/4885EIF4A3 1472/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT GABRA1 1599/4885GABRB1 1206/4885EIF4A3 1081/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 GABRA1 4378/4885GABRB1 4370/4885EIF4A3 1147/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL GABRA1 247/4885GABRB1 92/4885EIF4A3 2166/4885

“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.