SCHEMBL6772346

SCHEMBL6772346

Cc1ccc(-c2ccccc2)cc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
ERBB2 P04626 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTPN1 P18031 1/20 0.37
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7662696 0.86 TAAR1 (0.39) ALDH1A1GSK3BCYP3A4TSHRTDP1
SCHEMBL31490983 0.84 ERBB2 (0.41) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL7670914 0.82 ALOX5 (0.39) MAPTCYP1A2BACE1ALDH1A1ALOX5
SCHEMBL5160117 0.81 DCLRE1A (0.43) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL27671603 0.80 GAA (0.42) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL3784027 0.80 TAAR1 (0.48) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL6773228 0.80 HPGD (0.50) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL2139060 0.80 HPGD (0.42) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL6771878 0.78 TAAR1 (0.57) GAAKDM4EMAPTHPGDCYP1A2
SCHEMBL20696572 0.78 ALDH1A1 (0.44) GAAKDM4EMAPTHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 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 (2 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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 GAA 1114/4885KDM4E 711/4885MAPT 604/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 GAA 1114/4885KDM4E 711/4885MAPT 604/4885

“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.