Sugi Predict

Sugi Predict / Compounds / SCHEMBL4940145

SCHEMBL4940145

SCHEMBL4940145

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2cccc(C)c2)n1CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RXFP1 Q9HBX9 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ UBE2N P61088 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 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
SCHEMBL4942937 0.95 HPGD (0.53) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL4947233 0.93 HPGD (0.58) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL4942601 0.92 POLB (0.51) HPGDTSHRMAPTPOLBRXFP1
SCHEMBL4945565 0.92 HPGD (0.54) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL4944388 0.92 HPGD (0.52) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL4947027 0.92 HPGD (0.52) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL4947228 0.90 HPGD (0.55) HPGDTSHRALDH1A1MAPTHSD17B10
SCHEMBL4946394 0.90 MAPT (0.49) TSHRALDH1A1MAPTHSD17B10POLB
SCHEMBL4941427 0.89 MEN1 (0.47) HPGDALDH1A1MAPTPOLBUSP2
SCHEMBL4942008 0.89 HPGD (0.54) HPGDTSHRALDH1A1MAPTHSD17B10

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 10 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
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 — — EP 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 HPGD 561/4885TSHR 148/4885ALDH1A1 4091/4885

“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.