SCHEMBL6192249

SCHEMBL6192249

COc1cccc(N(C)S(C)(=O)=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.39
NR3C1 P04150 2/20 0.39
C5AR1 P21730 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
PTGS2 P35354 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
SCHEMBL25690742 0.84 KMT2A (0.56) KMT2AKDM4EMAPK1HPGDL3MBTL1
SCHEMBL6194088 0.80 KMT2A (0.45) KMT2AKDM4EMAPK1ALDH1A1LMNA
SCHEMBL7713608 0.77 APP (0.44) KDM4EMAPK1ALDH1A1LMNAHPGD
SCHEMBL22596691 0.75 HPGD (0.43) KMT2AKDM4EMAPK1HPGDPTGS2
SCHEMBL18831734 0.74 CA1 (0.41) KMT2AKDM4EMAPK1ALDH1A1LMNA
SCHEMBL9385104 0.74 L3MBTL1 (0.53) KMT2AKDM4EALDH1A1NR3C1TP53
SCHEMBL22589746 0.74 KMT2A (0.40) KMT2AKDM4EMAPK1HPGDMEN1
SCHEMBL25688214 0.72 GAA (0.51) KMT2AALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9957659 0.71 KMT2A (0.44) KMT2AKDM4EMAPK1ALDH1A1LMNA
SCHEMBL12871703 0.70 GAA (0.53) KMT2AKDM4EMAPK1ALDH1A1LMNA

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-1373267-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2005-02-02 EP disclosed
US-6716836-B2 BENZOTHIAZOLE OR BENZOTHIAZINE DERIVATIVES OF DIPYRIDO(3,2B:2',3'-E)(1,4-DIAZEPIN-6-ONE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-06 US disclosed
US-20030069226-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-10 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 (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-20030069226-A1 Non-nucleoside reverse transcriptase inhibitors RCOR1, CBR1, SUB1 KMT2A 1253/4885KDM4E 429/4885MAPK1 1758/4885

“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.