SCHEMBL4944726

SCHEMBL4944726

COc1ccccc1CNC(=O)CCc1nnc(SCc2ccc(F)cc2)n1CC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 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
SCHEMBL4945646 0.95 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4938000 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4944354 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4944116 0.84 L3MBTL1 (0.47) HPGDKMT2ALMNAPOLB
SCHEMBL4944186 0.82 MEN1 (0.49) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL4944931 0.82 POLB (0.51) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4946352 0.80 MAPT (0.51) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4945778 0.79 HPGD (0.54) ALDH1A1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL4946837 0.79 KMT2A (0.50) ALDH1A1KMT2ALMNAPOLB
SCHEMBL4943688 0.78 NPSR1 (0.54) ALDH1A1HPGDKMT2ALMNASMN1; SMN2

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 4676/4885HPGD 561/4885

“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.