SCHEMBL4942880

SCHEMBL4942880

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.46
PLA2G7 Q13093 1/20 0.46
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL4942970 0.95 HPGD (0.57) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4944914 0.93 HPGD (0.51) KMT2AMEN1SMN1; SMN2HPGDTP53
SCHEMBL4938181 0.92 TP53 (0.46) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4944436 0.92 HPGD (0.50) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4946352 0.92 MAPT (0.51) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4945444 0.91 HPGD (0.49) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4943688 0.91 NPSR1 (0.54) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4943640 0.91 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4944755 0.89 HPGD (0.50) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4943750 0.88 HPGD (0.51) KMT2AMEN1SMN1; SMN2HPGDMAPT

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 KMT2A 4770/4885MEN1 3430/4885SMN1; SMN2 3497/4885

“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.