SCHEMBL5450879

SCHEMBL5450879

COC(=O)c1ccc(NS(C)(=O)=O)c(I)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 1/20 0.55
HTT P42858 1/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.47
MAPK10 P53779 1/20 0.46
CYP2C9 P11712 3/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
XDH P47989 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5440367 0.88 KDM4E (0.70) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL3237044 0.85 KDM4E (0.77) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL21515526 0.81 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL25139809 0.81 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL3999926 0.80 CA1 (0.50) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL8068415 0.79 KDM4E (0.72) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL4175701 0.79 KDM4E (0.72) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL8886669 0.79 KDM4E (0.62) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL31056327 0.79 KDM4E (0.62) KDM4ESMN1; SMN2HSD17B10POLBHTT
SCHEMBL4952535 0.78 KDM4E (0.70) KDM4ESMN1; SMN2HSD17B10POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786128-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2010-08-31 US disclosed
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS BLEICHER KONRAD 2008-09-25 US disclosed
US-7384945-B2 Indole or benzimidazole derivatives as CB1 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2008-06-10 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
US-20070135485-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2007-06-14 US disclosed
EP-1723126-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
WO-2005040157-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-05-06 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 (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-20070135485-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R KDM4E 1471/4885SMN1; SMN2 2528/4885HSD17B10 780/4885
US-20080234290-A1 NEW INDOLE OR BENZIMIDAZOLE DERIVATIVES AS CB1 INVERSE AGONISTS CNR1, CNR2, GPR119 KDM4E 1867/4885SMN1; SMN2 3382/4885HSD17B10 3069/4885

“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.