SCHEMBL2845697

SCHEMBL2845697

O=C/C(=C(\Cl)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL2845699 1.00 SRD5A2 (0.45) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL2846425 0.91 SRD5A2 (0.50) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL2846423 0.91 SRD5A2 (0.50) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL1850553 0.81 TCF4 (0.66) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL1850554 0.81 TCF4 (0.66) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL2851191 0.78 SRD5A2 (0.50) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL2851189 0.78 SRD5A2 (0.50) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL3552163 0.77 SRD5A2 (0.47) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL3552164 0.77 SRD5A2 (0.47) SRD5A2FLT1FLT4KDRSMN1; SMN2
SCHEMBL7871642 0.76 SRD5A2 (0.70) SRD5A2FLT1FLT4KDRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
US-7687537-B2 N-[(4,5-diphenyl-2-thienyl)methyl]amine derivatives, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-7674821-B2 N-[(4,5-diphenyl-3-alkyl-2-thienyl)methyl]amine [amide, sulfonamide, carbamate and urea) derivatives as cannabinoid CB1 receptor antagonists SANOFI-AVENTIS (FR) 2010-03-09 US disclosed
US-7589120-B2 N-[(4,5-diphenyl-2-thienyl)methyl]sulfonamide derivatives, preparation thereof and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-15 US disclosed
US-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-10 US disclosed
US-20070287744-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2007-12-13 US disclosed
EP-1858872-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-11-28 EP disclosed
US-20070270470-A1 N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL)METHYL]AMINE [AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-11-22 US disclosed
EP-1841754-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2007-10-10 EP disclosed
EP-1833812-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL]AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2007-09-19 EP disclosed
WO-2006084975-A1 DERIVATIVES OF N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, THIOUREA AND UREA) AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-08-17 WO disclosed
WO-2006077320-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2006-07-27 WO disclosed
WO-2006070106-A1 N-[(4, 5-DIPHENYL-3-ALKYL-2-THIENYL) METHYL] AMINE (AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2006-07-06 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-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 SRD5A2 2063/4885FLT1 2286/4885FLT4 2101/4885
US-20070270470-A1 N-[(4,5-DIPHENYL-3-ALKYL-2-THIENYL)METHYL]AMINE [AMIDE, SULFONAMIDE, CARBAMATE AND UREA) DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, UTS2R SRD5A2 2122/4885FLT1 1456/4885FLT4 1306/4885
US-20070287744-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]SULFONAMIDE DERIVATIVES, PREPARATION THEREOF AND THEIR THERAPEUTIC APPLICATION TPMT, TXNRD2, ARG2 SRD5A2 254/4885FLT1 2173/4885FLT4 1709/4885
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 SRD5A2 2063/4885FLT1 2286/4885FLT4 2101/4885

“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.