SCHEMBL12316878

SCHEMBL12316878

O=C(COc1nsnc1N1CCOCC1)Nc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.82
MEN1 O00255 5/20 0.82
ALDH1A1 P00352 9/20 0.79
HTT P42858 2/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 4/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 2/20 0.60
ALOX15 P16050 2/20 0.60
MAPK1 P28482 1/20 0.60
POLB P06746 1/20 0.60
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL9337860 0.76 HTT (0.70) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL9817959 0.73 CYP1A2 (0.63) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL13953865 0.70 KMT2A (0.69) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL11529594 0.70 HTT (0.61) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL11406171 0.70 ADRB2 (0.66) KMT2AMEN1ALDH1A1HTTKDM4E
Oxalic Acid SCHEMBL9336253 0.70 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1HTTKDM4E
Oxalic Acid SCHEMBL9336263 0.70 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL9339905 0.69 HTT (0.60) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL9339910 0.69 HTT (0.60) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL17244724 0.69 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-8263642-B2 Antimicrobial compounds and methods of use thereof VANDERBILT UNIVERSITY (US) 2012-09-11 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 US disclosed
US-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2010-01-07 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-20100004324-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF HMOX1, HMOX2, NOD2 KMT2A 4544/4885MEN1 4247/4885ALDH1A1 4316/4885

“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.