SCHEMBL1731978

SCHEMBL1731978

O=CNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ FFAR2 O15552 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL7677679 0.78 FFAR2 (0.46) HSD17B10HDAC4HDAC7HDAC5FFAR2
SCHEMBL20811278 0.78 FFAR2 (0.46) HSD17B10HDAC4HDAC7HDAC5FFAR2
SCHEMBL7677677 0.78 FFAR2 (0.46) HSD17B10HDAC4HDAC7HDAC5FFAR2
SCHEMBL4480601 0.77 HDAC3 (0.41) HDAC4HDAC7HDAC5LMNACHRM1
SCHEMBL7042356 0.77 ESR1 (0.41) HSD17B10TSHRHIF1ATDP1MEN1
SCHEMBL2074728 0.76 EPHX1 (0.48) HDAC4HDAC7HDAC5TSHRMEN1
SCHEMBL4481760 0.71 ALDH1A1 (0.43) MEN1KMT2ALMNAHPGDSLC6A4
SCHEMBL10979443 0.71 ALDH1A1 (0.42) TSHRMAPK1TDP1MEN1KMT2A
SCHEMBL1792519 0.69 HSD17B10 (0.46) HSD17B10HDAC4HDAC7HDAC5FFAR2
SCHEMBL1978297 0.69 HSD17B10 (0.46) HSD17B10HDAC4HDAC7HDAC5FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071788-B2 Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2011-12-06 — — US claimed
EP-1802571-B1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE AVENTIS PHARMA SA (FR) 2011-11-23 — — EP claimed
US-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2010-04-08 — — US claimed
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2008-12-18 — — US claimed
US-20070244084-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE AVENTIS PHARMA SA (FR) 2007-10-18 — — US claimed
EP-1802571-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE Aventis Pharma S.A. (FR) 2007-07-04 — — EP claimed
WO-2006040464-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE AVENTIS PHARMA S.A. (FR) 2006-04-20 — — WO claimed
US-8071788-B2 Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2011-12-06 — — US disclosed
EP-1802571-B1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE AVENTIS PHARMA SA (FR) 2011-11-23 — — EP disclosed
US-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2010-04-08 — — US disclosed
US-7652154-B2 Method and intermediates for the preparation of derivatives of N (1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2010-01-26 — — US disclosed
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE SANOFI-AVENTIS (FR) 2008-12-18 — — US disclosed
US-7429668-B2 Method and intermediates for the preparation of derivatives of N-(1-benzhydrylazetidin-3-yl)-N-phenylmethylsulfonamide SANOFI-AVENTIS (FR) 2008-09-30 — — US disclosed
US-20070244084-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE AVENTIS PHARMA SA (FR) 2007-10-18 — — US disclosed
EP-1802571-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE Aventis Pharma S.A. (FR) 2007-07-04 — — EP disclosed
WO-2006040464-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE AVENTIS PHARMA S.A. (FR) 2006-04-20 — — 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 (3 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-20100087414-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH CNR1 2384/4885HSD17B10 3961/4885HDAC4 3685/4885
US-20070244084-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH CNR1 2384/4885HSD17B10 3961/4885HDAC4 3685/4885
US-20080312205-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N (1-BENZHYDRYLAZETIDIN-3-YL)-N-PHENYLMETHYLSULFONAMIDE NPEPPS, DHPS, NISCH CNR1 2384/4885HSD17B10 3961/4885HDAC4 3685/4885

“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.

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