SCHEMBL4942529

SCHEMBL4942529

COc1ccc(CNC(=O)CCCCc2nnc(SCc3ccccc3C)n2-c2cccc(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
NPSR1 Q6W5P4 3/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TLR8 Q9NR97 1/20 0.43
PTGES O14684 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
SCHEMBL4944579 0.92 ALDH1A1 (0.56) ALDH1A1NPSR1GLAMAPTKMT2A
SCHEMBL4941306 0.91 ALDH1A1 (0.49) ALDH1A1NPSR1GLAMAPTKMT2A
SCHEMBL4945047 0.90 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL4945189 0.89 ANO1 (0.44) ALDH1A1NPSR1MAPTRECQLCYP1A2
SCHEMBL4945447 0.89 ALDH1A1 (0.49) ALDH1A1NPSR1GLAMAPTKMT2A
SCHEMBL4944015 0.88 ALDH1A1 (0.55) ALDH1A1NPSR1GLAMAPTKMT2A
SCHEMBL4941501 0.88 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL4943986 0.88 ALDH1A1 (0.58) ALDH1A1NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL4940177 0.87 ALDH1A1 (0.50) ALDH1A1NPSR1GLAMAPTSMN1; SMN2
SCHEMBL4947038 0.87 HPGD (0.46) ALDH1A1NPSR1MAPTKMT2ARECQL

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 6 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

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 17/4885GLA 4817/4885

“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.