SCHEMBL4945554

SCHEMBL4945554

CCCCSc1nnc(CCC(=O)NCc2ccccc2OC)n1-c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.44
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4937960 0.88 RECQL (0.46) ALDH1A1MAPTHPGDCYP2C19MEN1
SCHEMBL4946428 0.88 NPSR1 (0.52) ALDH1A1NPSR1MAPTHPGDGAA
SCHEMBL4944875 0.87 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTHPGDGAA
SCHEMBL4944377 0.86 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTHPGDGAA
SCHEMBL4937656 0.85 ALDH1A1 (0.52) ALDH1A1NPSR1MAPTHPGDGAA
SCHEMBL4942571 0.85 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTHPGDGAA
SCHEMBL4940554 0.85 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTHPGDCYP2C19
SCHEMBL4944589 0.84 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTHPGDTP53
SCHEMBL4937715 0.84 ALDH1A1 (0.53) ALDH1A1NPSR1MAPTHPGDCYP2C19
SCHEMBL4943640 0.83 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTHPGDMEN1

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 10 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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 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 4091/4885NPSR1 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.