SCHEMBL1207904

SCHEMBL1207904

N#Cc1c(NC(=O)C=Cc2ccco2)sc2c1CCC(OC(=O)NCC1CCCO1)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 5/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 4/20 0.62
MEN1 O00255 3/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 3/20 0.62
KDM4E B2RXH2 2/20 0.62
NR0B1 P51843 1/20 0.62
EIF4H Q15056 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
FLT3 P36888 1/20 0.44
TGFBR1 P36897 3/20 0.42
PTPN5 P54829 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
SCHEMBL1207953 0.90 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1208888 0.89 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1208157 0.88 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1210357 0.88 NOD1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1207597 0.88 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1209273 0.87 TGFBR1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1207356 0.87 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1207657 0.86 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1209792 0.86 TGFBR1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1207667 0.86 ALDH1A1 (0.65) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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 316/4885NPC1 4410/4885RAB9A 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.