SCHEMBL4943589

SCHEMBL4943589

COCCCn1c(CCCCC(=O)NCCc2ccccc2)nnc1SCc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ESR2 Q92731 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CES2 O00748 1/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
SSTR1 P30872 1/20 0.43
SSTR4 P31391 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
SCHEMBL4946289 0.98 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDTHRBRXFP1
SCHEMBL4944742 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDTHRBMAPT
SCHEMBL4937963 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDLMNAL3MBTL1
SCHEMBL4943744 0.85 POLB (0.53) ALDH1A1SMN1; SMN2HPGDTHRBRXFP1
SCHEMBL4938790 0.84 ALDH1A1 (0.45) ALDH1A1RXFP1MAPTL3MBTL1USP2
SCHEMBL4938917 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDLMNAL3MBTL1
SCHEMBL4947206 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL4943327 0.83 TLR8 (0.47) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL4946646 0.82 ALDH1A1 (0.50) ALDH1A1HPGDTHRBMAPTLMNA
SCHEMBL4943851 0.82 TP53 (0.49) ALDH1A1SMN1; SMN2HPGDTHRBRXFP1

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
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-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 4091/4885SMN1; SMN2 3497/4885HPGD 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.