SCHEMBL4947045

SCHEMBL4947045

O=C(CCCCc1nnc(SCc2cccc(Cl)c2)n1-c1cccc(Cl)c1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
NPSR1 Q6W5P4 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.54
GLA P06280 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
TLR8 Q9NR97 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
PAX8 Q06710 1/20 0.44

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
SCHEMBL4947203 0.98 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4944607 0.97 ALDH1A1 (0.57) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4944687 0.97 ALDH1A1 (0.57) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4937992 0.94 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4940588 0.94 ALDH1A1 (0.54) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL13992332 0.94 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4940113 0.94 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4940126 0.93 ALDH1A1 (0.54) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4938169 0.93 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4938836 0.92 ALDH1A1 (0.54) ALDH1A1NPSR1SMN1; SMN2MAPTGLA

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 ALDH1A1 4091/4885NPSR1 17/4885SMN1; SMN2 3497/4885

“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.