SCHEMBL4937679

SCHEMBL4937679

Cc1ccc(-n2c(CCC(=O)NCCc3ccccc3)nnc2SCc2cc(C)cc(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
NPSR1 Q6W5P4 6/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 1/20 0.50
ALOX15 P16050 2/20 0.49
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PNP P00491 1/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.46

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
SCHEMBL4943492 0.94 ALDH1A1 (0.57) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4942981 0.94 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4941312 0.90 ALDH1A1 (0.62) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4946318 0.89 TP53 (0.53) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4946372 0.89 ALDH1A1 (0.52) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4944773 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4945403 0.85 GAA (0.48) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4945513 0.84 ALDH1A1 (0.61) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL8346756 0.84 L3MBTL1 (0.40) ALDH1A1NPSR1MAPTL3MBTL1GAA
SCHEMBL4943892 0.84 ALDH1A1 (0.54) ALDH1A1NPSR1MAPTL3MBTL1GAA

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 9 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

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 4091/4885NPSR1 17/4885MAPT 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.