SCHEMBL4944834

SCHEMBL4944834

CCCCNC(=O)CCCCc1nnc(SCc2cccc(C)c2)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4946996 0.96 ALDH1A1 (0.53) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4945513 0.93 ALDH1A1 (0.61) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4943792 0.93 ALDH1A1 (0.52) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4938148 0.91 ALDH1A1 (0.50) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4941444 0.90 ALDH1A1 (0.56) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4942865 0.90 ALDH1A1 (0.52) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4943302 0.90 HTT (0.54) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4944583 0.89 ALDH1A1 (0.52) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4938019 0.88 TLR8 (0.47) ALDH1A1GAAMAPTLMNANPSR1
SCHEMBL4946923 0.88 GAA (0.52) ALDH1A1GAAMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US claimed
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US disclosed
EP-1427725-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2004-06-16 EP disclosed
WO-2003022843-A1 PYRAZOLYL-SUBSTITUTED THIENYLOXYPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-03-20 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B ALDH1A1 4091/4885GAA 4843/4885MAPT 3974/4885

“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.