SCHEMBL20403100

SCHEMBL20403100

COc1ccc2cc(C(=O)NNC(=O)COc3ccc(C(C)C)cc3)[nH]c2c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
RECQL P46063 1/20 0.49
FLT3 P36888 3/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
EIF4A3 P38919 1/20 0.45

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
SCHEMBL19299534 0.90 UBE2N (0.53) KMT2AMEN1HDAC1HDAC2KDM4E
SCHEMBL19299385 0.87 GAA (0.54) KMT2AMEN1RAB9ANPC1RECQL
SCHEMBL19299535 0.82 UBE2N (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL19299546 0.80 UBE2N (0.53) KMT2AMEN1ALDH1A1MAPT
SCHEMBL19299540 0.80 UBE2N (0.53) KMT2AMEN1ALDH1A1MAPT
SCHEMBL4937263 0.78 FLT3 (0.60) KMT2AMEN1RAB9ANPC1FLT3
SCHEMBL19299380 0.78 UBE2N (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL19299545 0.74 UBE2N (0.53) KMT2AMEN1ALDH1A1MAPT
SCHEMBL30147474 0.74 ALOX15 (0.64) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL19299541 0.73 UBE2N (0.52) KMT2AMEN1FLT3ALDH1A1MAPT

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
EP-3212183-B1 SYNERGISTIC COMPOSITIONS FOR TREATING MICROBIAL INFECTIONS UNIV ROCHESTER (US) 2019-10-02 EP disclosed
US-10028931-B2 Synergistic compositions for treating microbial infections UNIVERSITY OF ROCHESTER (US) 2018-07-24 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-10028931-B2 Synergistic compositions for treating microbial infections RNASE1, RNASEL, RNASEH1 KMT2A 2906/4885MEN1 4312/4885RAB9A 3271/4885

“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.