SCHEMBL4946428

SCHEMBL4946428

COc1cccc(-n2c(CCC(=O)NCc3ccccc3OC)nnc2SCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.49
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL4937656 0.94 ALDH1A1 (0.52) NPSR1ALDH1A1HPGDMAPTTDP1
SCHEMBL4940554 0.94 ALDH1A1 (0.47) NPSR1ALDH1A1HPGDMAPTCYP2C19
SCHEMBL4937715 0.93 ALDH1A1 (0.53) NPSR1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL4944589 0.93 ALDH1A1 (0.49) NPSR1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL4942571 0.93 ALDH1A1 (0.46) NPSR1ALDH1A1HPGDMAPTCYP2C19
SCHEMBL4945531 0.93 TP53 (0.51) NPSR1ALDH1A1HPGDMAPTCYP1A2
SCHEMBL13991614 0.91 ALDH1A1 (0.45) NPSR1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL4941982 0.91 ALDH1A1 (0.45) NPSR1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL4944377 0.90 ALDH1A1 (0.49) NPSR1ALDH1A1HPGDMAPTCYP2C19
SCHEMBL4943640 0.90 ALDH1A1 (0.51) NPSR1ALDH1A1HPGDMAPTTDP1

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 NPSR1 17/4885ALDH1A1 4091/4885HPGD 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.