SCHEMBL20022792

SCHEMBL20022792

C=CCON(C)C1C=C(c2nc3ccccc3s2)CN(CC(=O)c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KEAP1 Q14145 1/20 0.34
MGLL Q99685 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL20022794 0.89 HPGD (0.35) RAB9AHPGDKMT2AMEN1NPSR1
SCHEMBL20022795 0.82 KMT2A (0.38) RAB9AHPGDKMT2AMEN1NPSR1
SCHEMBL20022779 0.78 SMO (0.32) KMT2AMEN1
SCHEMBL20022787 0.78 BRD4 (0.32)
SCHEMBL20022803 0.77 BRD4 (0.31) CASP3
SCHEMBL20028322 0.74 MEN1 (0.34) RAB9AHPGDKMT2AMEN1NPSR1
SCHEMBL28463163 0.74 KEAP1 (0.35) RAB9AHPGDKMT2AMEN1NPSR1
SCHEMBL20028321 0.68 KMT2A (0.38) RAB9AHPGDKMT2AMEN1NPSR1
SCHEMBL18209821 0.65 NPC1 (0.37) RAB9AHPGDKMT2AMEN1NPSR1
SCHEMBL18209890 0.64 L3MBTL1 (0.39) RAB9AHPGDKMT2AMEN1NPSR1

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 RAB9A 1331/4885HPGD 32/4885KMT2A 2940/4885

“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.