SCHEMBL4945491

SCHEMBL4945491

CC(C)CNC(=O)CCc1nnc(SCc2ccc(F)cc2)n1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
TLR8 Q9NR97 1/20 0.44
GLA P06280 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE6D O43924 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.42
PTGES O14684 1/20 0.42
VCP P55072 1/20 0.41

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
SCHEMBL4944043 0.92 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL4944422 0.91 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL4944226 0.90 ALDH1A1 (0.52) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL4944941 0.89 TLR8 (0.45) KMT2AMEN1SMN1; SMN2MAPTTLR8
SCHEMBL4944477 0.88 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2MAPTTLR8
SCHEMBL4944195 0.87 ALDH1A1 (0.49) KMT2ASMN1; SMN2MAPTTLR8GLA
SCHEMBL4945133 0.86 TLR8 (0.47) KMT2AMEN1MAPTTP53TLR8
SCHEMBL4945476 0.86 TLR8 (0.50) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL4937673 0.85 TLR8 (0.49) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL4943926 0.85 LMNA (0.53) KMT2AMEN1SMN1; SMN2MAPTTP53

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.