SCHEMBL6629127

SCHEMBL6629127

O=C(CCNC(=O)[C@@H]1CCCN2C(=O)CCC(NC(=O)NC3CCCCC3)C(=O)N12)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.43
CASP1 P29466 6/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
LCK P06239 10/20 0.41
IL1B P01584 2/20 0.39

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
SCHEMBL6630514 0.87 CASP1 (0.42) CASP1MMEACELCKIL1B
SCHEMBL7083805 0.86 LCK (0.42) CASP1MMEACELCKIL1B
SCHEMBL6629495 0.85 ADAM17 (0.38) CASP1MMEACELCKIL1B
SCHEMBL6629124 0.85 CASP3 (0.48) RAB9AMEN1KMT2ANPC1CASP1
SCHEMBL6629120 0.85 CASP3 (0.48) RAB9AMEN1KMT2ANPC1CASP1
SCHEMBL6628996 0.84 CASP1 (0.45) CASP1LCKIL1B
SCHEMBL6631460 0.84 CASP1 (0.48) RAB9AMEN1KMT2ANPC1CASP1
SCHEMBL6629364 0.83 CASP1 (0.50) CASP1MMEACELCKIL1B
SCHEMBL7089222 0.81 CASP1 (0.35) CASP1MMEACELCKIL1B
SCHEMBL6676663 0.80 CASP1 (0.43) RAB9AMEN1KMT2ANPC1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 4747/4885MEN1 811/4885KMT2A 1682/4885

“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.