SCHEMBL436614

SCHEMBL436614

C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(NC(=O)CNc3cccnc3)cc2)cc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADAM17 P78536 1/20 0.41
NAMPT P43490 1/20 0.40
NOTUM Q6P988 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FPR2 P25090 1/20 0.39

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 0.96 MAPK1 (0.46) MAPK1SMN1; SMN2NAMPTNOTUM
SCHEMBL1109195 0.90 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2ADAM17NAMPTNOTUM
SCHEMBL403111 0.89 NAMPT (0.39) NAMPT
SCHEMBL404569 0.89 MEN1 (0.47) LMNARAB9A
SCHEMBL462594 0.87 HTT (0.48) ADAM17LMNAHTTNPSR1
SCHEMBL404235 0.86 KCNQ3 (0.38) SMN1; SMN2RAB9A
SCHEMBL402556 0.86 NAMPT (0.40) NAMPT
SCHEMBL400733 0.85 MEN1 (0.48) LMNARAB9A
SCHEMBL405283 0.85 MAPK1 (0.43) MAPK1SMN1; SMN2NAMPTCYP11B1CYP11B2
SCHEMBL461314 0.85 DGAT1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
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-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-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-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-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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (7 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 MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MAPK1 1831/4885SMN1; SMN2 2296/4885ADAM17 1862/4885

“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.