SCHEMBL4945331

SCHEMBL4945331

COc1cccc(-n2c(CCCC(=O)NCc3ccccc3OC)nnc2SCc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
HPGD P15428 2/20 0.54
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.46
RXFP1 Q9HBX9 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR8 Q9NR97 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 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
SCHEMBL4945459 0.97 TP53 (0.53) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL4937715 0.95 ALDH1A1 (0.53) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL4944071 0.95 TP53 (0.52) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL4940152 0.95 HPGD (0.53) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL4944620 0.92 TP53 (0.52) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL4945700 0.92 HPGD (0.49) ALDH1A1HPGDTP53NPSR1RXFP1
SCHEMBL4944445 0.92 HPGD (0.51) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL4943328 0.92 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2NPSR1GLA
SCHEMBL4944749 0.91 HPGD (0.49) ALDH1A1HPGDTP53SMN1; SMN2NPSR1
SCHEMBL13992255 0.91 HPGD (0.49) ALDH1A1HPGDTP53SMN1; SMN2NPSR1

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 7 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
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 4091/4885HPGD 561/4885TP53 4351/4885

“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.