SCHEMBL1209488

SCHEMBL1209488

N#Cc1c(NC(=O)C=Cc2ccco2)sc2c1CCC(COC(=O)NC1CCC(O)CC1)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
POLB P06746 6/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
KMT2A Q03164 5/20 0.60
NPC1 O15118 4/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 3/20 0.60
HPGD P15428 3/20 0.60
KDM4E B2RXH2 2/20 0.60
NR0B1 P51843 1/20 0.60
PTPN5 P54829 1/20 0.48
EIF4H Q15056 1/20 0.43
RECQL P46063 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FLT3 P36888 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL1210101 0.98 ALDH1A1 (0.62) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1210175 0.95 ALDH1A1 (0.63) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1210387 0.93 ALDH1A1 (0.61) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1207610 0.89 ALDH1A1 (0.63) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1208119 0.89 ALDH1A1 (0.61) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1209131 0.88 ALDH1A1 (0.61) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1209371 0.88 ALDH1A1 (0.61) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1209985 0.87 ALDH1A1 (0.61) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1209513 0.87 ALDH1A1 (0.63) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1207476 0.87 PTPN5 (0.48) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A

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
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO 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 316/4885POLB 1250/4885RAB9A 2531/4885

“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.