SCHEMBL4945646

SCHEMBL4945646

COc1ccccc1CNC(=O)CCc1nnc(SCc2ccccc2)n1CC1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.44
ATM Q13315 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
SCHEMBL4944726 0.95 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL4944354 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL4938000 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL4945778 0.84 HPGD (0.54) ALDH1A1HPGDKMT2A
SCHEMBL4943602 0.83 HPGD (0.53) POLBHPGDKMT2AHTT
SCHEMBL4943956 0.81 ALDH1A1 (0.55) ALDH1A1HPGDKMT2A
SCHEMBL4942607 0.81 LMNA (0.52) ALDH1A1KDM4EHPGDKMT2A
SCHEMBL4938852 0.81 POLB (0.52) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL4946837 0.79 KMT2A (0.50) ALDH1A1POLBKMT2AUSP2ATM
SCHEMBL4947233 0.78 HPGD (0.58) ALDH1A1KDM4EPOLBHPGDKMT2A

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 4091/4885KDM4E 4676/4885POLB 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.