SCHEMBL4946342

SCHEMBL4946342

CC(C)CNC(=O)CCCCc1nnc(SCC(=O)c2ccccc2)n1CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 1/20 0.53
HPGD P15428 2/20 0.50
MAPT P10636 7/20 0.48
ALDH1A1 P00352 9/20 0.47
HTT P42858 3/20 0.47
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 4/20 0.46
USP2 O75604 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL8349029 0.87 MEN1 (0.47) MEN1KMT2AATMHPGDMAPT
SCHEMBL4945525 0.84 HPGD (0.48) MEN1KMT2AATMHPGDMAPT
SCHEMBL4944189 0.84 HPGD (0.48) MEN1KMT2AATMHPGDMAPT
SCHEMBL4947206 0.83 ALDH1A1 (0.49) MEN1KMT2AATMHPGDMAPT
SCHEMBL8348058 0.80 MEN1 (0.45) MEN1KMT2AATMHPGDMAPT
SCHEMBL4938198 0.79 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL8349053 0.78 MEN1 (0.42) MEN1KMT2AATMHPGDMAPT
SCHEMBL8348259 0.78 MEN1 (0.42) MEN1KMT2AATMHPGDMAPT
SCHEMBL4944627 0.74 KMT2A (0.48) MEN1KMT2AHPGDALDH1A1RECQL
SCHEMBL4944067 0.74 MAPT (0.49) MEN1KMT2AMAPTALDH1A1RECQL

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 MEN1 3430/4885KMT2A 4770/4885ATM 4070/4885

“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.