SCHEMBL3553404

SCHEMBL3553404

Cc1c(C(N)=O)sc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.45
DBF4 Q9UBU7 4/20 0.45
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
TP53 P04637 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
CCNT1 O60563 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CDK9 P50750 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
IKBKB O14920 2/20 0.38
LIMK1 P53667 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
MDM2 Q00987 3/20 0.36
CHRNA7 P36544 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
SCHEMBL3555731 0.93 CDC7 (0.46) CDC7DBF4CCNE1CDK2TP53
SCHEMBL3559754 0.89 SRD5A2 (0.41) CDC7DBF4CCNE1CDK2MAPT
SCHEMBL3556990 0.86 GABRA2 (0.45) CDC7DBF4TP53MAPTPOLB
SCHEMBL3549304 0.82 SRD5A2 (0.45) TP53MAPTPOLBCHRNA7KDM4E
SCHEMBL5300506 0.79 DPP4 (0.37) DPP4DPP8ALDH1A1HPGDHSD11B1
SCHEMBL3556612 0.79 KDM4E (0.47) CDC7DBF4TP53MAPTMDM2
Hydrochloric Acid SCHEMBL3551834 0.78 DPP4 (0.36) DPP4DPP8ALDH1A1HPGDHSD11B1
SCHEMBL22901435 0.76 GRM2 (0.41) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL2841884 0.76 CSNK1A1 (0.46) CDC7DBF4CCNE1CDK2CCNT1
SCHEMBL3555703 0.73 ALDH1A1 (0.38) CDC7DBF4TP53MAPTMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (1 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-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 CDC7 2421/4885DBF4 3509/4885CCNE1 637/4885

“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.