SCHEMBL1209408

SCHEMBL1209408

COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCC(OC(=O)NCC2CCOCC2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
GRM1 Q13255 1/20 0.39
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 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
SCHEMBL1209188 0.90 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1207847 0.90 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1207895 0.89 ALDH1A1 (0.53) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1209732 0.88 ALDH1A1 (0.51) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1209518 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL1207839 0.86 ALDH1A1 (0.42) ALDH1A1MAPTALOX15MEN1KMT2A
SCHEMBL1207710 0.86 ALDH1A1 (0.53) ALDH1A1MAPTLMNAALOX15MEN1
SCHEMBL1209405 0.86 ALDH1A1 (0.52) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1208967 0.86 ALDH1A1 (0.49) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL1207707 0.85 ALDH1A1 (0.47) ALDH1A1MAPTTP53HSD17B10NPC1

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 2 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

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 ALDH1A1 316/4885MAPT 865/4885LMNA 3666/4885

“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.