SCHEMBL1207199

SCHEMBL1207199

N#Cc1c(NC(=O)CCc2cccnc2)sc2c1CCC(COC(=O)NCc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
GCGR P47871 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTK2B Q14289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
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
SCHEMBL14292944 0.93 ALDH1A1 (0.40) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1207266 0.92 ALDH1A1 (0.49) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1207264 0.92 ALDH1A1 (0.49) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1207787 0.92 ALDH1A1 (0.49) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1207505 0.90 ALDH1A1 (0.48) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1208581 0.89 ALDH1A1 (0.47) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1207755 0.89 ALDH1A1 (0.47) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1207785 0.88 ALDH1A1 (0.45) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1209397 0.88 ALDH1A1 (0.42) ALDH1A1MAPTPOLBMEN1TP53
SCHEMBL1209347 0.88 ALDH1A1 (0.44) ALDH1A1MAPTPOLBMEN1TP53

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 ALDH1A1 316/4885MAPT 865/4885POLB 1250/4885

“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.