SCHEMBL10286754

SCHEMBL10286754

CCc1ccc(-c2ccc(C(=O)NC[C@@H](C)OC(=O)NCCC#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 4/20 0.43
TAOK3 Q9H2K8 3/20 0.43
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PLK1 P53350 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSB P07858 2/20 0.37
CTSS P25774 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
SCHEMBL10285927 0.84 TAOK1 (0.42) TAOK1TAOK3ALDH1A1TDP1CCNB2
SCHEMBL4246116 0.80 TAOK1 (0.38) TAOK1TAOK3ALDH1A1TDP1CCNB2
SCHEMBL1095466 0.77 TAOK1 (0.37) TAOK1TAOK3ALDH1A1TDP1CCNB2
SCHEMBL1095469 0.77 TAOK1 (0.37) TAOK1TAOK3ALDH1A1TDP1CCNB2
SCHEMBL402861 0.73 DRD2 (0.42) TAOK1TAOK3ALDH1A1PLK1
SCHEMBL14224151 0.73 TAOK1 (0.55) TAOK1TAOK3HPGDNPSR1ALDH1A1
SCHEMBL13919830 0.73 ALDH1A1 (0.54) TAOK1TAOK3HPGDNPSR1ALDH1A1
SCHEMBL14616303 0.72 HPGD (0.47) TAOK1TAOK3HPGDNPSR1ALDH1A1
SCHEMBL405304 0.70 TAOK1 (0.39) TAOK1TAOK3ALDH1A1PLK1RAB9A
SCHEMBL10268332 0.70 HPGD (0.64) TAOK1TAOK3HPGDNPSR1ALDH1A1

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 TAOK1 1470/4885TAOK3 2857/4885HPGD 408/4885

“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.