SCHEMBL4944015

SCHEMBL4944015

COc1cccc(-n2c(CCCC(=O)NCc3ccccc3)nnc2SCc2ccccc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL4940177 0.94 ALDH1A1 (0.50) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4945036 0.89 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4942529 0.88 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4946317 0.88 ALDH1A1 (0.57) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4944579 0.88 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4943328 0.87 ALDH1A1 (0.55) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4938033 0.85 ALDH1A1 (0.54) ALDH1A1NPSR1MAPTL3MBTL1MAPK1
SCHEMBL4943922 0.85 CNR1 (0.43) ALDH1A1NPSR1MAPTTSHRLMNA
SCHEMBL4945700 0.84 HPGD (0.49) ALDH1A1NPSR1MAPTTSHRLMNA
SCHEMBL4947038 0.84 HPGD (0.46) ALDH1A1NPSR1MAPTTSHRTP53

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 4091/4885NPSR1 17/4885MAPT 3974/4885

“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.