SCHEMBL4940157

SCHEMBL4940157

CCCNC(=O)CCCCc1nnc(SCc2ccccc2C)n1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4944189 0.89 HPGD (0.48) LMNAHTTKMT2AALDH1A1GAA
SCHEMBL4947270 0.87 ALDH1A1 (0.48) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL4943430 0.86 LMNA (0.49) LMNAALDH1A1NPSR1SMN1; SMN2POLB
SCHEMBL4947228 0.86 HPGD (0.55) KMT2AALDH1A1USP2MEN1NPSR1
SCHEMBL4941335 0.85 ALDH1A1 (0.54) LMNAHTTKMT2AALDH1A1GAA
SCHEMBL4944742 0.84 ALDH1A1 (0.49) LMNAKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4944027 0.84 TP53 (0.45) LMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL8348264 0.83 KMT2A (0.44) KMT2AALDH1A1GAAUSP2MEN1
SCHEMBL4945011 0.82 POLB (0.61) KMT2AALDH1A1GAAMEN1POLB
SCHEMBL4944627 0.82 KMT2A (0.48) KMT2AALDH1A1GAAUSP2MEN1

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 8 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-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 LMNA 3028/4885HTT 2108/4885KMT2A 4770/4885

“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.