SCHEMBL4946923

SCHEMBL4946923

Cc1cccc(CSc2nnc(CCCCC(=O)NCC(C)C)n2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ALDH1A1 P00352 6/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
VCP P55072 1/20 0.43
TLR8 Q9NR97 1/20 0.43
MAPK1 P28482 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
SCHEMBL4943795 0.93 ALDH1A1 (0.47) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4941363 0.91 GLA (0.47) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4941444 0.90 ALDH1A1 (0.56) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4944602 0.90 MEN1 (0.48) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4945513 0.90 ALDH1A1 (0.61) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4946996 0.89 ALDH1A1 (0.53) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4940624 0.89 GAA (0.47) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4944461 0.88 USP2 (0.46) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4944834 0.88 ALDH1A1 (0.52) GAAALDH1A1MAPTNPSR1LMNA
SCHEMBL4937673 0.87 TLR8 (0.49) GAAALDH1A1MAPTNPSR1LMNA

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 GAA 4843/4885ALDH1A1 4091/4885MAPT 3974/4885

“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.