SCHEMBL404713

SCHEMBL404713

Cc1ccc(-c2ccc(C(C)(N[C@@H](CN)C(=O)NO)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KIF11 P52732 2/20 0.36
F9 P00740 1/20 0.34
MMP9 P14780 2/20 0.34
MMP2 P08253 2/20 0.34
MMP7 P09237 1/20 0.34
MMP10 P09238 1/20 0.34
TNF P01375 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL1109398 0.78 HDAC1 (0.49) CTSBHDAC1HDAC6
SCHEMBL404712 0.73 MMP8 (0.45) ANPEPNPC1RAB9A
SCHEMBL1109283 0.71 HDAC1 (0.49) ANPEPNPC1RAB9AHDAC1HDAC6
SCHEMBL1109400 0.69 CTSB (0.47) ANPEPNPC1RAB9ACTSBCTSS
SCHEMBL7463584 0.68 ANPEP (0.54) ANPEPNPC1
SCHEMBL4921436 0.68 MMP13 (0.58) MMP9MMP2MMP7MMP10MMP1
SCHEMBL4921444 0.68 MMP13 (0.58) MMP9MMP2MMP7MMP10MMP1
SCHEMBL403795 0.68 HDAC1 (0.46) ANPEPNPC1RAB9AHDAC1HDAC6
SCHEMBL1912257 0.68 MMP7 (0.44) ANPEPHDAC1HDAC6KIF11MMP9
SCHEMBL12064333 0.67 ANPEP (0.45) ANPEPNPC1RAB9ACTSBCTSS

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885NPC1 371/4885MAPT 4619/4885

“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.