SCHEMBL4945700

SCHEMBL4945700

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 7/20 0.46
NPSR1 Q6W5P4 5/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4940554 0.95 ALDH1A1 (0.47) HPGDALDH1A1NPSR1TSHRMAPT
SCHEMBL4942023 0.95 HPGD (0.48) HPGDALDH1A1NPSR1TSHRMAPT
SCHEMBL4943750 0.92 HPGD (0.51) HPGDALDH1A1NPSR1TSHRMAPT
SCHEMBL4944749 0.92 HPGD (0.49) HPGDALDH1A1NPSR1MAPTTP53
SCHEMBL4945331 0.92 ALDH1A1 (0.54) HPGDALDH1A1NPSR1MAPTTP53
SCHEMBL13992255 0.92 HPGD (0.49) HPGDALDH1A1NPSR1TSHRMAPT
SCHEMBL4945036 0.91 ALDH1A1 (0.56) HPGDALDH1A1NPSR1TSHRMAPT
SCHEMBL4943640 0.90 ALDH1A1 (0.51) HPGDALDH1A1NPSR1MAPTLMNA
SCHEMBL4942571 0.90 ALDH1A1 (0.46) HPGDALDH1A1NPSR1TSHRMAPT
SCHEMBL4944169 0.90 HPGD (0.47) HPGDALDH1A1NPSR1TSHRMAPT

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 HPGD 561/4885ALDH1A1 4091/4885NPSR1 17/4885

“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.