SCHEMBL3368638

SCHEMBL3368638

ON=C(Cc1ccsc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CTSL P07711 1/20 0.38
MAPT P10636 1/20 0.38
XDH P47989 1/20 0.38
GRM5 P41594 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
DAO P14920 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2308524 1.00 HDAC1 (0.41) HDAC1HDAC6L3MBTL1POLBKDM4E
SCHEMBL4586157 0.79 CTSL (0.55) KDM4ESMN1; SMN2CTSLXDHATM
SCHEMBL257218 0.79 CTSL (0.55) KDM4ESMN1; SMN2CTSLXDHATM
SCHEMBL4586154 0.79 CTSL (0.55) KDM4ESMN1; SMN2CTSLXDHATM
SCHEMBL359526 0.75 L3MBTL1 (0.49) L3MBTL1POLBKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL27642400 0.74 L3MBTL1 (0.48) L3MBTL1POLBKDM4ESMN1; SMN2MAPT
SCHEMBL28302059 0.73 LMNA (0.52) KDM4ESMN1; SMN2CTSLXDHTAAR1
SCHEMBL10733336 0.71 KDM4E (0.54) L3MBTL1KDM4ESMN1; SMN2CTSLMAPT
SCHEMBL9324768 0.71 KDM4E (0.46) KDM4ESMN1; SMN2CTSLMAPTXDH
SCHEMBL29510064 0.71 KDM4E (0.50) L3MBTL1KDM4ESMN1; SMN2CTSLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 HDAC1 2241/4885HDAC6 3202/4885L3MBTL1 2790/4885

“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.