SCHEMBL3349779

SCHEMBL3349779

O=C(Cl)C=Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.58
HSP90AA1 P07900 2/20 0.57
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1B1 Q16678 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL15171261 1.00 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL5248928 0.98 HSP90AA1 (0.56) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL5248932 0.98 HSP90AA1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30317323 0.83 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11999774 0.83 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6611670 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29779566 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL333836 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL333837 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9944609 0.80 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM

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 NPC1 4710/4885RAB9A 1355/4885MEN1 4646/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD NPC1 4632/4885RAB9A 1118/4885MEN1 4610/4885

“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.