SCHEMBL4938822

SCHEMBL4938822

COc1ccccc1CNC(=O)CCc1nnc(SCc2cccc(Cl)c2)n1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 3/20 0.45
THRB P10828 2/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 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
SCHEMBL4945586 0.90 TP53 (0.52) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4943851 0.88 TP53 (0.49) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4946305 0.87 TP53 (0.52) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4937715 0.87 ALDH1A1 (0.53) TP53MAPTALDH1A1HPGDMAPK1
SCHEMBL4945531 0.87 TP53 (0.51) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4937997 0.86 TP53 (0.51) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4945498 0.86 TP53 (0.50) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4945459 0.85 TP53 (0.53) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4947027 0.85 HPGD (0.52) TP53MAPTLMNAALDH1A1HPGD
SCHEMBL4944071 0.85 TP53 (0.52) TP53MAPTLMNAALDH1A1HPGD

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 TP53 4351/4885MAPT 3974/4885LMNA 3028/4885

“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.