SCHEMBL9924167

SCHEMBL9924167

CC(C)(C)c1ccc(C(F)(F)F)nn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CXCR4 P61073 1/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
TSHR P16473 1/20 0.31
OGA O60502 1/20 0.31
SCN5A Q14524 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
SCHEMBL3295796 0.86 TRPV4 (0.48) TRPV4KDM4ECXCR4HSP90AA1HSP90AB1
SCHEMBL47578 0.86 TSHR (0.38) KDM4ETSHR
SCHEMBL31613907 0.80 TRPV4 (0.37) TRPV4KDM4ECXCR4IDH1IDH2
SCHEMBL12668141 0.78 TSHR (0.33) KDM4ETSHR
SCHEMBL335132 0.77 HSP90AA1 (0.39) TRPV4KDM4ECXCR4HSP90AA1HSP90AB1
SCHEMBL21719322 0.77
SCHEMBL30612218 0.77 HSP90AA1 (0.39) TRPV4KDM4ECXCR4HSP90AA1HSP90AB1
SCHEMBL21794149 0.77 TRPV4 (0.34) TRPV4
SCHEMBL30395779 0.74 TRPV4 (0.39) TRPV4
SCHEMBL18401507 0.74 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242332-B2 Method for producing benzimidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-02-08 US disclosed
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2020-03-05 US disclosed
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy KARUS THERAPEUTICS LIMITED (GB) 2019-09-10 US disclosed
US-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2017-11-02 US disclosed
US-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY KARUS THERAPEUTICS LIMITED (GB) 2017-11-02 US disclosed
US-8987268-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 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 (10 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S TRPV4 1030/4885GABRA2 3420/4885GABRB2 2512/4885
US-20170313712-A1 DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY HDAC1, HDAC11, HDAC7 TRPV4 4398/4885GABRA2 2926/4885GABRB2 2584/4885
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B TRPV4 778/4885GABRA2 3509/4885GABRB2 3400/4885
US-10407435-B2 Diheteroaryl histone deacetylase inhibitors and their use in therapy HDAC1, HDAC11, HDAC7 TRPV4 4398/4885GABRA2 2926/4885GABRB2 2584/4885
US-20140011800-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 TRPV4 2265/4885GABRA2 2129/4885GABRB2 2543/4885
US-11242332-B2 Method for producing benzimidazole derivative CYP3A4, CYP3A5, CYP3A43 TRPV4 2594/4885GABRA2 792/4885GABRB2 817/4885
US-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 TRPV4 1060/4885GABRA2 3185/4885GABRB2 3216/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 TRPV4 1060/4885GABRA2 3185/4885GABRB2 3216/4885
US-20200071295-A1 METHOD FOR PRODUCING BENZIMIDAZOLE DERIVATIVE CYP3A4, CYP3A5, CYP3A43 TRPV4 2594/4885GABRA2 792/4885GABRB2 817/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B TRPV4 1080/4885GABRA2 3495/4885GABRB2 3302/4885

“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.