SCHEMBL3310563

SCHEMBL3310563

COC(=O)/C(O)=C\C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 4/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
AKT1 P31749 3/20 0.47
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 3/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2232374 1.00 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL2232370 1.00 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL2231488 0.85 ALDH1A1 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2231484 0.85 ALDH1A1 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28546110 0.85 NFE2L2 (0.53) NFE2L2MEN1KMT2ANPC1RAB9A
SCHEMBL3310551 0.84 ALDH1A1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2239090 0.84 POLB (0.46) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL2234650 0.84 CYP1A2 (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5493098 0.84 POLB (0.46) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL2239088 0.84 POLB (0.46) MEN1KMT2AMAPTSMN1; SMN2TSHR

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 2 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 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 (1 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 NFE2L2 1959/4885MEN1 1930/4885KMT2A 1733/4885

“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.