SCHEMBL3593425

SCHEMBL3593425

C/C(=C/c1ccc(F)cc1)CBr

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.51
ABCB11 O95342 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FBP1 P09467 1/20 0.43
PTPN1 P18031 1/20 0.41
NFE2L2 Q16236 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3593427 1.00 TRPA1 (0.51) TRPA1ABCB11SIGMAR1MEN1LMNA
SCHEMBL3604983 0.81 KMT2A (0.44) MEN1LMNAMAPTCYP2C9CYP2C19
SCHEMBL3602792 0.81 TRPA1 (0.55) TRPA1ABCB11SIGMAR1MEN1LMNA
SCHEMBL3595054 0.81 GSK3B (0.42) TRPA1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL3602795 0.81 TRPA1 (0.55) TRPA1ABCB11SIGMAR1MEN1LMNA
SCHEMBL14604979 0.81 TRPA1 (0.58) TRPA1ABCB11SIGMAR1MEN1LMNA
SCHEMBL3595056 0.81 GSK3B (0.42) TRPA1MAPTCYP2C9CYP2C19KMT2A
SCHEMBL3604985 0.81 KMT2A (0.44) MEN1LMNAMAPTCYP2C9CYP2C19
SCHEMBL14419183 0.81 TRPA1 (0.58) TRPA1ABCB11SIGMAR1MEN1LMNA
SCHEMBL10986457 0.79 TRPA1 (0.47) TRPA1ABCB11SIGMAR1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 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 (8 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO TRPA1 3644/4885ABCB11 1289/4885SIGMAR1 2628/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 TRPA1 461/4885ABCB11 513/4885SIGMAR1 773/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 TRPA1 126/4885ABCB11 1719/4885SIGMAR1 35/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TRPA1 126/4885ABCB11 1719/4885SIGMAR1 35/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TRPA1 126/4885ABCB11 1719/4885SIGMAR1 35/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 TRPA1 2960/4885ABCB11 2266/4885SIGMAR1 2108/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 TRPA1 667/4885ABCB11 443/4885SIGMAR1 1022/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TRPA1 126/4885ABCB11 1719/4885SIGMAR1 35/4885

“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.