SCHEMBL7742909

SCHEMBL7742909

CNc1ccccc1[S+](C)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.34
PABPC1 P11940 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HTR6 P50406 1/20 0.34
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL17812980 0.77 KDM4E (0.38) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL21637950 0.77 MAPT (0.38) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL12139313 0.77 TDP1 (0.40) KDM4EMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL4940111 0.74 ALDH1A1 (0.53) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL29449705 0.71 POLB (0.60) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL653948 0.71 POLB (0.60) KDM4EPOLBMAPTTDP1L3MBTL1
SCHEMBL8338791 0.70 SLC6A4 (0.41) KDM4EPOLBMAPTALDH1A1
SCHEMBL514292 0.69 TSHR (0.45) ALDH1A1TSHRIDO1
SCHEMBL1642155 0.69 TSHR (0.45) MAPTTDP1ALDH1A1HSD17B10TSHR
SCHEMBL6508099 0.69 TSHR (0.45) MAPTTDP1ALDH1A1HSD17B10TSHR

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-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP disclosed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP disclosed
CN-1045768-C Angiotension II antagonists LILLY CO ELI (US) 1999-10-20 CN disclosed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO disclosed
CN-1085897-A Angiotension II antagonists LILLY CO ELI (US) 1994-04-27 CN disclosed
US-4440964-A INTERMEDIATES FOR PREPARING SUBSTITUTED ANILINES MONSANTO COMPANY (US) 1984-04-03 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KDM4E 418/4885POLB 4635/4885MAPT 2186/4885

“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.