SCHEMBL3556612

SCHEMBL3556612

COC(=O)c1sc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46
ALPL P05186 1/20 0.43
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 5/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL3556990 0.93 GABRA2 (0.45) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL2682560 0.87 TP53 (0.48) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL3549304 0.86 SRD5A2 (0.45) KDM4EMAPTNPC1RAB9ATP53
SCHEMBL3555731 0.85 CDC7 (0.46) KDM4EMAPTNPC1RAB9ATP53
SCHEMBL12483906 0.80 ALPL (0.44) KDM4EMAPTNPC1CASP3RAB9A
SCHEMBL3559754 0.80 SRD5A2 (0.41) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3553404 0.79 CDC7 (0.45) KDM4EMAPTNPC1RAB9ATP53
SCHEMBL5095879 0.78 CNR1 (0.63) SLC6A3CNR1CNR2
SCHEMBL476369 0.78 SRD5A2 (0.45) KDM4ENPC1RAB9ATP53MDM2
SCHEMBL2841088 0.76 OPRD1 (0.58) KDM4EMAPTNPC1CASP3RAB9A

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-7462631-B2 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-12-09 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
US-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-11-23 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-20060264470-A1 Thiophene-2-carboxamide derivatives, preparation and therapeutic application thereof CNR1, CNR2, TPMT KDM4E 691/4885MAPT 2332/4885NPC1 998/4885
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 KDM4E 280/4885MAPT 1915/4885NPC1 1257/4885

“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.