SCHEMBL4947320

SCHEMBL4947320

CCCNC(=O)CCc1nnc(SCc2cccc(F)c2)n1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
ALDH1A2 O94788 1/20 0.46
ALDH1A3 P47895 1/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TLR8 Q9NR97 1/20 0.44
TP53 P04637 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 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
SCHEMBL4944025 0.95 ALDH1A1 (0.45) ALDH1A1ALDH1A2ALDH1A3GLACYP1A2
SCHEMBL4945640 0.91 GLA (0.53) ALDH1A1GLACYP1A2CYP3A4CYP2D6
SCHEMBL4942070 0.90 CYP1A2 (0.49) ALDH1A1GLACYP1A2CYP3A4CYP2D6
SCHEMBL4944895 0.90 ALDH1A1 (0.48) ALDH1A1ALDH1A2CYP2D6CYP2C19NPSR1
SCHEMBL4944043 0.89 ALDH1A1 (0.46) ALDH1A1ALDH1A2ALDH1A3GLACYP1A2
SCHEMBL4944635 0.89 TLR8 (0.51) ALDH1A1GLACYP1A2CYP3A4CYP2D6
SCHEMBL4944817 0.89 TLR8 (0.48) ALDH1A1GLACYP1A2CYP3A4CYP2D6
SCHEMBL4943628 0.88 TLR8 (0.50) ALDH1A1GLACYP1A2CYP3A4CYP2D6
SCHEMBL4941175 0.86 ALDH1A1 (0.54) ALDH1A1ALDH1A2ALDH1A3GLACYP1A2
SCHEMBL4942594 0.85 ALDH1A1 (0.51) ALDH1A1GLACYP1A2CYP3A4CYP2D6

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 4091/4885ALDH1A2 2693/4885ALDH1A3 3540/4885

“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.