Sugi Predict

Sugi Predict / Compounds / SCHEMBL6629248

SCHEMBL6629248

SCHEMBL6629248

O=C(CSc1nnnn1-c1ccccc1)CC(NC(=O)[C@@H]1CCCN2C(=O)CCC(NC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.42
▸ IL1B P01584 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ LCK P06239 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL6629800 0.87 CASP1 (0.41) CASP1IL1BALDH1A1LCKHTT
SCHEMBL6629803 0.87 CASP1 (0.41) CASP1IL1BALDH1A1LCKHTT
SCHEMBL6629247 0.87 LCK (0.46) CASP1IL1BLCKMMEACE
SCHEMBL6627535 0.87 CASP1 (0.42) CASP1IL1BALDH1A1SMN1; SMN2LCK
SCHEMBL6628995 0.87 LCK (0.46) CASP1IL1BLCKMMEACE
SCHEMBL6630910 0.84 CASP1 (0.42) CASP1IL1BLCKMMEACE
SCHEMBL6631747 0.83 CYP1A2 (0.43) CASP1IL1BALDH1A1MAPTHTT
SCHEMBL6628010 0.83 CASP1 (0.39) CASP1IL1BALDH1A1LCKHTT
SCHEMBL6627468 0.78 CASP1 (0.46) CASP1IL1BLCKMMEACE
SCHEMBL6626815 0.77 CASP1 (0.45) CASP1IL1BMAPTLCKMME

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 — — EP claimed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 — — US claimed
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 — — EP disclosed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 — — 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-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof HRH4, HRH3, HRH2 CASP1 2506/4885IL1B 2994/4885ALDH1A1 3225/4885

“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.