Sugi Predict

Sugi Predict / Compounds / SCHEMBL4946929

SCHEMBL4946929

SCHEMBL4946929

COc1ccc(CNC(=O)CCCCc2nnc(SCc3ccc(C)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.62
▸ NPSR1 Q6W5P4 4/20 0.62
▸ LMNA P02545 4/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KMT2A Q03164 2/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 3/20 0.49

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
SCHEMBL4943477 0.93 ALDH1A1 (0.55) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4945047 0.91 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4938033 0.91 ALDH1A1 (0.54) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4942086 0.90 MEN1 (0.54) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4944914 0.88 HPGD (0.51) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4944951 0.87 ALDH1A1 (0.58) ALDH1A1NPSR1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL4938836 0.86 ALDH1A1 (0.54) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4946328 0.85 ALDH1A1 (0.52) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4938166 0.85 ALDH1A1 (0.57) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4941444 0.84 ALDH1A1 (0.56) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2

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 8 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
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 — — US disclosed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 — — WO 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 17/4885LMNA 3028/4885

“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.