SCHEMBL404712

SCHEMBL404712

Cc1ccc(-c2ccc(CCN[C@@H](CN)C(=O)NO)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.45
ANPEP P15144 2/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL403795 0.76 HDAC1 (0.46) MMP8ANPEPNPC1RAB9ASMN1; SMN2
SCHEMBL1109398 0.75 HDAC1 (0.49) SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL404999 0.75 BACE1 (0.40) ANPEP
SCHEMBL404744 0.74 MEP1B (0.49) ANPEP
SCHEMBL1109283 0.74 HDAC1 (0.49) ANPEPNPC1RAB9A
SCHEMBL404713 0.73 ANPEP (0.38) ANPEPNPC1RAB9A
SCHEMBL401475 0.71 TAS1R3 (0.55) ANPEPNPC1RAB9A
SCHEMBL4921436 0.68 MMP13 (0.58) MMP8
SCHEMBL4921444 0.68 MMP13 (0.58) MMP8
SCHEMBL7463584 0.68 ANPEP (0.54) ANPEPNPC1

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 MMP8 108/4885ANPEP 744/4885NPC1 371/4885

“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.