SCHEMBL1209596

SCHEMBL1209596

N#Cc1c(NC(=O)CCc2cccnc2)sc2c1CCC(OC(=O)NC1CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ESR1 P03372 1/20 0.42
OPRK1 P41145 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 6/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.40
GCGR P47871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14292973 0.92 PSMB8 (0.37) MAPTLMNAGAAPOLBMEN1
SCHEMBL1207881 0.89 MAPT (0.47) MAPTLMNAGAAPOLBMEN1
SCHEMBL1207132 0.87 ALDH1A1 (0.47) MAPTLMNAGAAPOLBMEN1
SCHEMBL1207710 0.85 ALDH1A1 (0.53) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL1219781 0.84 POLB (0.39) MAPTLMNAGAAPOLBMEN1
SCHEMBL1207607 0.84 MAPT (0.49) MAPTLMNAGAAPOLBMEN1
SCHEMBL1209595 0.83 ALDH1A1 (0.48) MAPTGAAPOLBMEN1KMT2A
SCHEMBL1207889 0.83 MAPT (0.48) MAPTLMNAGAAPOLBMEN1
SCHEMBL1208814 0.82 ALDH1A1 (0.48) MAPTGAAPOLBMEN1KMT2A
SCHEMBL1207787 0.81 ALDH1A1 (0.49) MAPTLMNAGAAPOLBMEN1

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
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 US disclosed
US-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD MAPT 865/4885LMNA 3666/4885GAA 3689/4885

“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.