SCHEMBL4943422

SCHEMBL4943422

Cc1ccc(CSc2nnc(CCCCC(=O)NCC3CCCO3)n2-c2cccc(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4945645 0.93 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4944669 0.92 ALDH1A1 (0.60) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4943624 0.90 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4942943 0.90 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4945493 0.90 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4943944 0.89 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4947028 0.88 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4937939 0.87 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4941423 0.85 ALOX15 (0.48) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL4942401 0.85 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2AHPGD

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 4091/4885TSHR 148/4885MEN1 3430/4885

“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.