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Sugi Predict / Compounds / SCHEMBL4946237

SCHEMBL4946237

SCHEMBL4946237

Cc1cc(C)cc(CSc2nnc(CCCCC(=O)NCC3CC3)n2-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ GAA P10253 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL4941910 0.93 GAA (0.50) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4945109 0.90 HPGD (0.44) ALDH1A1GAAL3MBTL1TP53NPSR1
SCHEMBL4937939 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL4938166 0.88 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4944583 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4941312 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4943795 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4943792 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4945158 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL4940590 0.85 MEN1 (0.58) ALDH1A1MEN1KMT2AGAAL3MBTL1

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 4091/4885MEN1 3430/4885KMT2A 4770/4885

“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.