SCHEMBL2844282

SCHEMBL2844282

O=C(NCc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)s1)Nc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.44
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
IDH1 O75874 1/20 0.41
GRIK1 P39086 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 1/20 0.40
MET P08581 1/20 0.39
KDR P35968 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
SCHEMBL2843519 0.90 RAB9A (0.53) CNR1RAB9AKMT2AMEN1NPC1
SCHEMBL2839856 0.81 LMNA (0.44) CNR1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL2847010 0.79 GCG (0.47) CNR1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2840753 0.79 HPGD (0.42) CNR1
SCHEMBL2851101 0.79 CNR1 (0.42) CNR1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL2842015 0.78 RAB9A (0.47) CNR1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL2850853 0.77 MMP2 (0.38) CNR1
SCHEMBL2843625 0.76 CNR1 (0.38) CNR1
SCHEMBL2844563 0.76 MMP2 (0.41) CNR1
SCHEMBL5272552 0.75 ESR1 (0.37) RAB9A

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 5 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 claimed
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 claimed
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-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

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-20080009543-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CNR1 1/4885RAB9A 2055/4885KMT2A 827/4885
US-20100137402-A1 N-[(4,5-DIPHENYL-2-THIENYL)METHYL]AMINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION CNR1, CNR2, GPR18 CNR1 1/4885RAB9A 2055/4885KMT2A 827/4885

“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.