SCHEMBL5022975

SCHEMBL5022975

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc3c(NS(=O)(=O)c4ccccc4)cccc3s2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
FLT1 P17948 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.40
CCR2 P41597 1/20 0.39
TP53 P04637 1/20 0.39
GPR27 Q9NS67 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
AVPR2 P30518 1/20 0.39
ALOX12 P18054 1/20 0.39
SLC40A1 Q9NP59 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 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
SCHEMBL5023088 0.93 KMT2A (0.43) MEN1KMT2AKDM4EHSD17B10ALDH1A1
Benzene SCHEMBL5023466 0.92 FLT1 (0.39) MEN1KMT2AFLT1FLT4KDR
Benzene SCHEMBL5016998 0.87 DYRK1A (0.39) MEN1KMT2AFLT1FLT4KDR
Benzene SCHEMBL5016963 0.85 KMT2A (0.42) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL5022970 0.85 GPR27 (0.44) MEN1KMT2AFLT1FLT4KDR
SCHEMBL5027182 0.83 ACLY (0.39) MEN1KMT2AFLT1FLT4KDR
SCHEMBL5023546 0.80 KDM4E (0.51) MEN1KMT2AKDM4EHSD17B10GAA
SCHEMBL5027363 0.79 KDM4E (0.39) MEN1KMT2AFLT1FLT4KDR
SCHEMBL5023079 0.78 ALDH1A1 (0.44) MEN1KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL5027178 0.76 KDM4E (0.40) MEN1KMT2AFLT1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US claimed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US claimed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MEN1 2848/4885KMT2A 1259/4885FLT1 1589/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MEN1 3370/4885KMT2A 2119/4885FLT1 1895/4885

“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.