SCHEMBL4945007

SCHEMBL4945007

COCCCNC(=O)CCc1nnc(SCc2cccc(Cl)c2)n1-c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TLR8 Q9NR97 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4944759 0.96 KDM4E (0.47) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4944681 0.91 TP53 (0.47) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4943454 0.91 ALDH1A1 (0.48) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4943327 0.91 TLR8 (0.47) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4947122 0.91 KDM4E (0.49) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4937931 0.87 TLR8 (0.45) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL4944665 0.87 KDM4E (0.51) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4942070 0.87 CYP1A2 (0.49) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL4944817 0.87 TLR8 (0.48) ALDH1A1LMNAMAPTNPSR1CYP1A2
SCHEMBL4938148 0.85 ALDH1A1 (0.50) ALDH1A1LMNAHTTMAPTNPSR1

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 4091/4885LMNA 3028/4885HTT 2108/4885

“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.