Sugi Predict

Sugi Predict / Compounds / SCHEMBL4942401

SCHEMBL4942401

SCHEMBL4942401

O=C(CCCCc1nnc(SCC(=O)c2ccccc2)n1-c1cccc(Cl)c1)NCC1CCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ NPSR1 Q6W5P4 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PABPC1 P11940 1/20 0.47
▸ LMNA P02545 2/20 0.47

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
SCHEMBL4945493 0.87 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4945645 0.87 ALDH1A1 (0.50) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4942943 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL4943624 0.85 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4943422 0.85 ALDH1A1 (0.50) ALDH1A1NPSR1HTTSMN1; SMN2MEN1
SCHEMBL4941423 0.83 ALOX15 (0.48) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4945112 0.83 ALDH1A1 (0.58) ALDH1A1NPSR1HTTSMN1; SMN2MEN1
SCHEMBL4938198 0.81 ALDH1A1 (0.54) ALDH1A1NPSR1HTTSMN1; SMN2MEN1
SCHEMBL4937939 0.80 ALDH1A1 (0.59) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4943944 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR

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 17/4885HTT 2108/4885

“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.