SCHEMBL5658125

SCHEMBL5658125

O=C1Cc2ccccc2Sc2cc3ccccc3cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HPGD P15428 5/20 0.67
KDM4E B2RXH2 3/20 0.67
KMT2A Q03164 9/20 0.63
MEN1 O00255 8/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
MAPT P10636 2/20 0.63
LMNA P02545 2/20 0.63
HTT P42858 2/20 0.63
ATM Q13315 1/20 0.63
BLM P54132 1/20 0.51
GAA P10253 3/20 0.47
PTGS2 P35354 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE4D Q08499 1/20 0.43
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 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
SCHEMBL11479637 0.82 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5641498 0.82 HPGD (0.70) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL7110795 0.82 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL3749553 0.80 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL7112968 0.78 KMT2A (0.61) ALDH1A1HPGDKDM4EKMT2AMEN1
Thioxanthene SCHEMBL28659062 0.78 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5644218 0.78 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL5362218 0.78 HPGD (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL7136366 0.78 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL4734710 0.78 KMT2A (0.78) ALDH1A1HPGDKDM4EKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 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 (2 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B ALDH1A1 86/4885HPGD 303/4885KDM4E 2670/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B ALDH1A1 25/4885HPGD 126/4885KDM4E 2986/4885

“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.