SCHEMBL3349775

SCHEMBL3349775

C=C(C(=O)Cl)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 2/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
GSK3B P49841 1/20 0.48

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
SCHEMBL1382335 0.84 CES2 (0.57) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL30499331 0.84 CES2 (0.57) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL755762 0.82 LMNA (0.63) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL6611666 0.82 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL4336990 0.80 CES2 (0.57) CES2CES1L3MBTL1LMNANAPRT
Hydrochloric Acid SCHEMBL1769091 0.80 LMNA (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL21585663 0.79 CES2 (0.52) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL1468 0.79
SCHEMBL8662246 0.79
SCHEMBL29407094 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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 (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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 CES2 4685/4885CES1 4602/4885L3MBTL1 2029/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD CES2 4654/4885CES1 4627/4885L3MBTL1 2161/4885

“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.