SCHEMBL2480976

SCHEMBL2480976

COc1ccc2nc(NC(=O)c3ccc([I+]c4cccs4)cc3)sc2c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 1/20 0.59
SCD O00767 13/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL2481782 0.94 SCD (0.61) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12199261 0.90 SCD (0.70) MEN1KMT2AKDM4EALDH1A1LMNA
Bromide SCHEMBL2480973 0.89 SCD (0.69) MEN1KMT2AKDM4EALDH1A1LMNA
Perchlorate SCHEMBL2479573 0.89 SCD (0.65) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12199268 0.84 NPC1 (0.65) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL12199260 0.84 SCD (0.77) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2481727 0.84 MAPT (0.55) MEN1KMT2AKDM4EALDH1A1LMNA
Bromide SCHEMBL2482639 0.83 SCD (0.76) MEN1KMT2AKDM4EALDH1A1MAPT
Perchlorate SCHEMBL2480865 0.82 SCD (0.71) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2482852 0.82 SCD (0.66) MEN1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 MEN1 443/4885KMT2A 2763/4885KDM4E 3043/4885

“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.