SCHEMBL403887

SCHEMBL403887

O=C(O)c1ccc(C#CC#Cc2ccc(Cl)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.61
FFAR1 O14842 2/20 0.55
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PTPN11 Q06124 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRM4 Q14833 1/20 0.39
TP53 P04637 1/20 0.39
KCNQ3 O43525 4/20 0.39
KCNQ2 O43526 4/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
P4HA1 P13674 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
SRD5A2 P31213 1/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL9925865 0.93 NAPRT (0.65) NAPRTFFAR1RARBRARGTSHR
SCHEMBL403166 0.82 FFAR1 (0.47) NAPRTFFAR1CHRNB2CHRNA4PTPN11
SCHEMBL12421008 0.81 GABRP (0.61) RARBRARGTSHRPTPN11TP53
SCHEMBL2679567 0.80 TSHR (0.60) NAPRTRARBRARGTSHRALOX15
SCHEMBL20266982 0.78 FFAR1 (0.58) NAPRTFFAR1CHRNB2CHRNA4L3MBTL1
6-Chloronicotinic Acid SCHEMBL104580 0.77 NAPRT (1.00) NAPRTTSHRALOX15L3MBTL1TP53
6-Chloronicotinic Acid SCHEMBL29524158 0.77 NAPRT (1.00) NAPRTTSHRALOX15L3MBTL1TP53
SCHEMBL402852 0.75 TSHR (0.54) NAPRTFFAR1RARBRARGTSHR
6-Chloronicotinic Acid SCHEMBL523893 0.75 NAPRT (0.96) NAPRTTSHRALOX15L3MBTL1TP53
6-Chloronicotinic Acid SCHEMBL10575126 0.75 NAPRT (0.96) NAPRTTSHRALOX15L3MBTL1TP53

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
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-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
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO 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 (5 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 NAPRT 1142/4885FFAR1 1540/4885RARB 1893/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 NAPRT 2324/4885FFAR1 1750/4885RARB 2971/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NAPRT 1169/4885FFAR1 1753/4885RARB 1644/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS NAPRT 1142/4885FFAR1 1540/4885RARB 1893/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS NAPRT 1142/4885FFAR1 1540/4885RARB 1893/4885

“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.