SCHEMBL4941219

SCHEMBL4941219

COc1cccc(-n2c(CCCC(=O)NCCc3ccccc3)nnc2SCc2cccc(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 7/20 0.54
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL4944943 0.98 TSHR (0.58) TSHRALDH1A1HPGDNPSR1MEN1
SCHEMBL4941966 0.95 TSHR (0.58) TSHRALDH1A1HPGDNPSR1MEN1
SCHEMBL4947298 0.93 TSHR (0.58) TSHRALDH1A1HPGDNPSR1MEN1
SCHEMBL4945036 0.93 ALDH1A1 (0.56) TSHRALDH1A1HPGDNPSR1LMNA
SCHEMBL4946812 0.91 TSHR (0.54) TSHRALDH1A1NPSR1MEN1KMT2A
SCHEMBL4945513 0.90 ALDH1A1 (0.61) TSHRALDH1A1HPGDNPSR1MEN1
SCHEMBL4945590 0.90 TSHR (0.48) TSHRALDH1A1HPGDNPSR1LMNA
SCHEMBL4943863 0.89 TSHR (0.53) TSHRALDH1A1HPGDNPSR1MEN1
SCHEMBL4944461 0.89 USP2 (0.46) TSHRALDH1A1HPGDNPSR1LMNA
SCHEMBL4944677 0.88 ALDH1A1 (0.54) TSHRALDH1A1HPGDNPSR1MEN1

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 TSHR 148/4885ALDH1A1 4091/4885HPGD 561/4885

“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.