SCHEMBL402950

SCHEMBL402950

CCc1ccc(-c2ccc(C(=O)N[C@H](CNOC(=O)NC3CC3)[C@@H](C)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 3/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAOK3 Q9H2K8 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
MAPK14 Q16539 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL5934118 0.83 TAS1R3 (0.44) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL1095544 0.82 TAOK1 (0.45) TAOK1MEN1KMT2APOLBTAS1R3
SCHEMBL5934190 0.80 KIFC1 (0.41) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL1096805 0.78 MEN1 (0.46) TAOK1MEN1KMT2APOLBTAOK3
SCHEMBL402951 0.78 TAOK1 (0.47) TAOK1MEN1KMT2APOLBTAS1R3
SCHEMBL402511 0.78 TAS1R3 (0.50) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL2258166 0.71 TAS1R3 (0.46) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL404732 0.71 TAOK1 (0.48) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL1109320 0.71 TAS1R3 (0.56) TAOK1TAS1R3TAS1R1TAOK3LMNA
SCHEMBL8272807 0.70 PLK1 (0.59) MEN1KMT2APOLBTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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 (2 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 1470/4885MEN1 2414/4885KMT2A 4800/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TAOK1 1470/4885MEN1 2414/4885KMT2A 4800/4885

“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.