SCHEMBL3312420

SCHEMBL3312420

O=C(O)/C(O)=C/C(=O)c1ccc(Cl)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
GPR27 Q9NS67 1/20 0.39
GRIK1 P39086 2/20 0.39
ERCC5 P28715 2/20 0.39
FEN1 P39748 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3312425 1.00 FLT1 (0.44) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3312429 1.00 FLT1 (0.44) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3310052 0.84 ALDH1A1 (0.59) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3310049 0.84 ALDH1A1 (0.59) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3310055 0.84 ALDH1A1 (0.59) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3316031 0.83 ALDH1A1 (0.44) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3316028 0.83 ALDH1A1 (0.44) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL34470516 0.81 CXCL12 (0.44) ALDH1A1MAPTSMN1; SMN2TSHRCASP1
SCHEMBL3311029 0.81 ALDH1A1 (0.58) FLT1FLT4KDRALDH1A1MAPT
SCHEMBL3308122 0.81 ALDH1A1 (0.58) FLT1FLT4KDRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US claimed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 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 (2 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-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof ME3, ME1, MDH1 FLT1 3798/4885FLT4 3758/4885KDR 4200/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 FLT1 3798/4885FLT4 3758/4885KDR 4200/4885

“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.