SCHEMBL20022795

SCHEMBL20022795

C=CCONC1C=C(c2nc3ccccc3s2)CN(CC(=O)c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MGLL Q99685 3/20 0.35
TP53 P04637 1/20 0.34
MGAM O43451 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL20028321 0.85 KMT2A (0.38) KMT2AL3MBTL1MEN1NPSR1TDP1
SCHEMBL20022792 0.82 RAB9A (0.36) KMT2AL3MBTL1MEN1NPSR1TDP1
SCHEMBL20022794 0.80 HPGD (0.35) KMT2AL3MBTL1MEN1NPSR1TDP1
SCHEMBL18209890 0.80 L3MBTL1 (0.39) KMT2AL3MBTL1MEN1NPSR1TDP1
SCHEMBL20022786 0.78 GRIN2B (0.33) ALDH1A1
SCHEMBL20022798 0.75 GRIN2B (0.33) RAB9ASMN1; SMN2
SCHEMBL28461270 0.73 ILK (0.35) KMT2AL3MBTL1MEN1NPSR1RAB9A
SCHEMBL20028322 0.67 MEN1 (0.34) KMT2AL3MBTL1MEN1NPSR1TDP1
SCHEMBL28463163 0.67 KEAP1 (0.35) KMT2AL3MBTL1MEN1NPSR1TDP1
SCHEMBL18209821 0.66 NPC1 (0.37) KMT2AL3MBTL1MEN1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2018-04-05 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-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT KMT2A 2940/4885L3MBTL1 1342/4885MEN1 1734/4885

“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.