SCHEMBL4944461

SCHEMBL4944461

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
TLR8 Q9NR97 1/20 0.42
VCP P55072 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 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
SCHEMBL4943908 0.95 USP2 (0.47) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4945288 0.91 TLR8 (0.45) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4945036 0.89 ALDH1A1 (0.56) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4944501 0.89 USP2 (0.47) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4941219 0.89 TSHR (0.58) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4946923 0.88 GAA (0.52) HPGDTSHRNPSR1ALDH1A1LMNA
SCHEMBL4944943 0.86 TSHR (0.58) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4945590 0.86 TSHR (0.48) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4946377 0.86 ALDH1A1 (0.47) USP2HPGDHSD17B10TSHRNPSR1
SCHEMBL4945700 0.86 HPGD (0.49) USP2HPGDHSD17B10TSHRNPSR1

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 8 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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 USP2 3451/4885HPGD 561/4885HSD17B10 2082/4885

“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.