SCHEMBL4944189

SCHEMBL4944189

Cc1ccccc1CSc1nnc(CCCCC(=O)NCC(C)C)n1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 3/20 0.40
DAGLA Q9Y4D2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4940157 0.89 LMNA (0.48) HPGDMEN1KMT2ALMNAHTT
SCHEMBL4945525 0.88 HPGD (0.48) HPGDMEN1KMT2AATMUSP2
SCHEMBL4943430 0.86 LMNA (0.49) LMNAALDH1A1NPSR1MAPTL3MBTL1
SCHEMBL4947228 0.85 HPGD (0.55) HPGDMEN1KMT2AUSP2ALDH1A1
SCHEMBL4947206 0.85 ALDH1A1 (0.49) HPGDMEN1KMT2AATMLMNA
SCHEMBL4941335 0.84 ALDH1A1 (0.54) MEN1KMT2ALMNAHTTUSP2
SCHEMBL4946342 0.84 MEN1 (0.53) HPGDMEN1KMT2AATMLMNA
SCHEMBL8348058 0.83 MEN1 (0.45) HPGDMEN1KMT2AATMUSP2
SCHEMBL4945011 0.82 POLB (0.61) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL8349053 0.82 MEN1 (0.42) HPGDMEN1KMT2AATMUSP2

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 8 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-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 561/4885MEN1 3430/4885KMT2A 4770/4885

“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.