SCHEMBL1109195

SCHEMBL1109195

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNc3cccnc3)cc2)cc1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
NAMPT P43490 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
NOTUM Q6P988 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FPR2 P25090 1/20 0.42
ADAM17 P78536 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL403708 0.92 MAPK1 (0.46) SMN1; SMN2MAPK1NAMPTNOTUM
SCHEMBL436614 0.90 MAPK1 (0.45) SMN1; SMN2MAPK1NAMPTNPC1RAB9A
SCHEMBL1109360 0.88 NAMPT (0.42) SMN1; SMN2MAPK1NAMPTLMNAPOLB
SCHEMBL1912129 0.88 ALDH1A1 (0.51) SMN1; SMN2RAB9ALMNAPOLBKMT2A
SCHEMBL1109126 0.86 HTT (0.52) SMN1; SMN2MAPK1LMNAHTTNPSR1
SCHEMBL10287219 0.86 DGAT1 (0.39) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10286215 0.85 KCNQ3 (0.45) SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL1109317 0.85 ADRB1 (0.47) SMN1; SMN2MAPK1NAMPTLMNAHTT
SCHEMBL1109295 0.84 HDAC1 (0.49) RAB9ALMNAPOLBKMT2A
SCHEMBL1109509 0.84 NAMPT (0.47) SMN1; SMN2MAPK1NAMPTNPC1RAB9A

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 SMN1; SMN2 2296/4885MAPK1 1831/4885NAMPT 1048/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885MAPK1 1831/4885NAMPT 1048/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885MAPK1 1831/4885NAMPT 1048/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885MAPK1 1831/4885NAMPT 1048/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885MAPK1 1831/4885NAMPT 1048/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885MAPK1 1831/4885NAMPT 1048/4885

“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.