SCHEMBL4944749

SCHEMBL4944749

COc1cccc(-n2c(CCCC(=O)NCc3ccccc3OC)nnc2SCc2cccc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 2/20 0.46
HTR7 P34969 2/20 0.44
ALDH1A2 O94788 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4944589 0.95 ALDH1A1 (0.49) HPGDALDH1A1NPSR1ALDH1A2KDM4E
SCHEMBL4943640 0.94 ALDH1A1 (0.51) HPGDALDH1A1NPSR1HTR7RXFP1
SCHEMBL4944436 0.92 HPGD (0.50) HPGDALDH1A1NPSR1HTR7MAPT
SCHEMBL4945700 0.92 HPGD (0.49) HPGDALDH1A1NPSR1RXFP1MAPT
SCHEMBL4946883 0.91 TP53 (0.48) HPGDALDH1A1NPSR1HTR7ALDH1A2
SCHEMBL13992255 0.91 HPGD (0.49) HPGDALDH1A1NPSR1RXFP1MAPT
SCHEMBL4945331 0.91 ALDH1A1 (0.54) HPGDALDH1A1NPSR1RXFP1MAPT
SCHEMBL4942023 0.89 HPGD (0.48) HPGDALDH1A1NPSR1RXFP1MAPT
SCHEMBL4937656 0.89 ALDH1A1 (0.52) HPGDALDH1A1NPSR1KDM4EMAPT
SCHEMBL4944169 0.89 HPGD (0.47) HPGDALDH1A1NPSR1RXFP1MAPT

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 HPGD 561/4885ALDH1A1 4091/4885NPSR1 17/4885

“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.