SCHEMBL4093741

SCHEMBL4093741

NCC(=O)N[C@H]([C]=O)Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.55
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
RECQL P46063 1/20 0.46
FDPS P14324 1/20 0.46
ECE1 P42892 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNA7 P36544 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.41
EPHX2 P34913 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
SCHEMBL583349 0.84 CTSC (0.75) CTSCCYP1A2HTTSMN1; SMN2PKM
SCHEMBL583348 0.84 CTSC (0.75) CTSCCYP1A2HTTSMN1; SMN2PKM
SCHEMBL13858664 0.84 CTSC (0.75) CTSCCYP1A2HTTSMN1; SMN2PKM
SCHEMBL7862745 0.83 ACACB (0.50) CYP3A4CYP1A2CYP2C9RECQLFDPS
SCHEMBL1649100 0.79 CTSC (0.62) CTSCCYP3A4CYP1A2ECE1LMNA
SCHEMBL9322426 0.78 HTT (0.55) CTSCCYP3A4CYP1A2CYP2C9ECE1
SCHEMBL27899225 0.77 CTSC (0.56) CTSCACACB
SCHEMBL10720706 0.76 CYP3A4 (0.56) CYP3A4LMNAKMT2A
SCHEMBL9439408 0.76 CYP3A4 (0.51) CYP3A4
SCHEMBL10720700 0.76 CYP3A4 (0.56) CYP3A4LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSC 619/4885CYP3A4 2536/4885CYP1A2 3364/4885

“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.