SCHEMBL1912166

SCHEMBL1912166

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(Nc3ccncc3)nc2)cc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.47
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
CSF1R P07333 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL404218 0.88 CHRM2 (0.46)
SCHEMBL13267214 0.84 HDAC1 (0.58) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL1912264 0.80 DGAT1 (0.45) DGAT1ROCK2ROCK1
SCHEMBL13825578 0.80 HDAC3 (0.46) DGAT1HDAC6
SCHEMBL1109386 0.79 HCAR3 (0.47) DGAT1HDAC6
SCHEMBL5450568 0.79 CA2 (0.49)
SCHEMBL405181 0.79 CA2 (0.49)
SCHEMBL14400853 0.79 MKNK1 (0.58) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL403130 0.79 MKNK1 (0.58) ROCK2RPS6KA5MAP4K4CDK1CSF1R
SCHEMBL1109205 0.79 KCNQ3 (0.44) DGAT1ABL1BCR

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 11 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-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 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
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS DGAT1 1874/4885ROCK2 4520/4885RPS6KA5 332/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS DGAT1 1874/4885ROCK2 4520/4885RPS6KA5 332/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS DGAT1 1874/4885ROCK2 4520/4885RPS6KA5 332/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS DGAT1 1874/4885ROCK2 4520/4885RPS6KA5 332/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS DGAT1 1874/4885ROCK2 4520/4885RPS6KA5 332/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS DGAT1 1874/4885ROCK2 4520/4885RPS6KA5 332/4885

“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.