SCHEMBL2315029

SCHEMBL2315029

CC(C)(C)c1ccc(-c2noc(COc3ccc(F)c(C(N)=O)c3F)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KLF5 Q13887 1/20 0.53
GSTP1 P09211 6/20 0.49
NPC1 O15118 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 6/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
FFAR1 O14842 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL202775 0.91 GSTP1 (0.56) GSTP1MAPTFFAR1
SCHEMBL201364 0.89 TSHR (0.55) RAB9ASMN1; SMN2GSTP1NPC1ALDH1A1
SCHEMBL202105 0.89 GSTP1 (0.55) RAB9ASMN1; SMN2GSTP1NPC1ALDH1A1
SCHEMBL201796 0.89 GSTP1 (0.52) TP53RAB9ASMN1; SMN2GSTP1NPC1
SCHEMBL2705735 0.88 MAPT (0.48) TP53RAB9ASMN1; SMN2GSTP1NPC1
SCHEMBL2317714 0.88 MAPT (0.59) TP53RAB9ASMN1; SMN2GSTP1NPC1
SCHEMBL2321750 0.87 FFAR1 (0.53) TP53GSTP1TSHRMAPTFFAR1
SCHEMBL201233 0.87 MAPT (0.57) TP53GSTP1ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL203838 0.87 MAPT (0.47) TP53RAB9ASMN1; SMN2GSTP1NPC1
SCHEMBL203129 0.87 MAPT (0.53) TP53RAB9ASMN1; SMN2GSTP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 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 (4 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 TP53 3921/4885RAB9A 1213/4885SMN1; SMN2 3366/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TP53 4103/4885RAB9A 2799/4885SMN1; SMN2 1208/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 TP53 4004/4885RAB9A 1340/4885SMN1; SMN2 2959/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 TP53 4103/4885RAB9A 2799/4885SMN1; SMN2 1208/4885

“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.