SCHEMBL2756458

SCHEMBL2756458

CCCCOCC(=O)Nc1cc(C(=O)OC)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 1/20 0.57
TSHR P16473 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL2756460 0.88 MAPT (0.61) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9505174 0.80 MAPT (0.56) MAPTALDH1A1KDM4ETSHRHPGD
SCHEMBL201344 0.80 ALDH1A1 (0.63) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9503267 0.78 MAPT (0.60) MAPTALDH1A1TSHRCYP1A2RAB9A
SCHEMBL5220585 0.77 ALDH1A1 (0.63) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL28668589 0.77 ALDH1A1 (0.77) MAPTALDH1A1KDM4ETSHRCYP1A2
SCHEMBL11078052 0.77 NPC1 (0.57) MAPTALDH1A1TSHRCYP1A2RAB9A
SCHEMBL9402438 0.76 MAPT (0.67) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL11528622 0.75 MAPT (0.54) MAPTALDH1A1KDM4ETSHRCYP1A2
SCHEMBL28646395 0.75 ALDH1A1 (0.61) MAPTALDH1A1KDM4ETSHRHPGD

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 8 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-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-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
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
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 MAPT 4688/4885ALDH1A1 787/4885KDM4E 819/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MAPT 4784/4885ALDH1A1 800/4885KDM4E 2407/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 MAPT 4744/4885ALDH1A1 740/4885KDM4E 1251/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MAPT 4784/4885ALDH1A1 800/4885KDM4E 2407/4885

“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.