SCHEMBL4941335

SCHEMBL4941335

COc1ccc(CNC(=O)CCCCc2nnc(SCc3ccccc3C)n2CCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
GLA P06280 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4943430 0.90 LMNA (0.49) ALDH1A1GLANPSR1MAPTTSHR
SCHEMBL4947228 0.90 HPGD (0.55) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL4943736 0.89 ALDH1A1 (0.52) ALDH1A1GLANPSR1MAPTTSHR
SCHEMBL4944095 0.87 ALDH1A1 (0.52) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL4946871 0.86 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL4940157 0.85 LMNA (0.48) ALDH1A1NPSR1TSHRPOLBUSP2
SCHEMBL4945011 0.85 POLB (0.61) ALDH1A1TSHRPOLBRECQLGAA
SCHEMBL4944189 0.84 HPGD (0.48) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL8349068 0.84 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTTSHRPOLB
SCHEMBL8349691 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTTSHRPOLB

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 10 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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 4091/4885GLA 4817/4885NPSR1 17/4885

“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.