SCHEMBL4945559

SCHEMBL4945559

C=CCSc1nnc(CCC(=O)NCc2ccccc2OC)n1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL4943602 0.87 HPGD (0.53) HPGDHTTPOLBHDAC6MEN1
SCHEMBL4945755 0.86 RXFP1 (0.49) HPGDHDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL4944116 0.84 L3MBTL1 (0.47) HPGDHTTPOLBHDAC6KMT2A
SCHEMBL4944625 0.84 HPGD (0.45) HPGDHTTPOLBHDAC6MEN1
SCHEMBL4944701 0.82 HPGD (0.46) HPGDHTTPOLBHDAC6MEN1
SCHEMBL4938944 0.82 HPGD (0.45) HPGDHTTPOLBHDAC6MEN1
SCHEMBL4943956 0.82 ALDH1A1 (0.55) HPGDHDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL4944875 0.81 ALDH1A1 (0.46) HPGDMEN1KMT2ATP53CYP2C19
SCHEMBL4947217 0.81 TP53 (0.45) HPGDHTTHDAC6SMN1; SMN2TP53
SCHEMBL4944186 0.80 MEN1 (0.49) HPGDHTTPOLBMEN1KMT2A

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 561/4885HTT 2108/4885POLB 4439/4885

“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.