SCHEMBL3309984

SCHEMBL3309984

COC(=O)/C(O)=C/C(=O)c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
PKM P14618 3/20 0.32
MITF O75030 1/20 0.32
HPGD P15428 1/20 0.32
PLCG1 P19174 1/20 0.32
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL3309986 1.00 P2RX7 (0.37) P2RX7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3307424 0.80 MAPT (0.50) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3307419 0.80 MAPT (0.50) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3307346 0.79 P2RX7 (0.39) P2RX7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3307340 0.79 P2RX7 (0.39) P2RX7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3307343 0.79 P2RX7 (0.39) P2RX7MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2232374 0.74 NFE2L2 (0.53) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL2232370 0.74 NFE2L2 (0.53) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL3310563 0.74 NFE2L2 (0.53) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL2239090 0.74 POLB (0.46) MAPTSMN1; SMN2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
WO-2010047774-A2 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE, METHODS OF MARKING AND USES THEREOF THE TEXAS A & M UNIVERSITY SYSTEM (US) 2010-04-29 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 (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 P2RX7 4627/4885MAPT 1964/4885SMN1; SMN2 4781/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 P2RX7 4627/4885MAPT 1964/4885SMN1; SMN2 4781/4885

“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.