SCHEMBL12316751

SCHEMBL12316751

CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.48
KMT2A Q03164 11/20 0.48
ALDH1A1 P00352 10/20 0.48
MEN1 O00255 8/20 0.48
GAA P10253 5/20 0.48
KDM4E B2RXH2 7/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 6/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 5/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRK1 P41145 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL14970638 0.87 ALDH1A1 (0.38) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL16596981 0.87 ALDH1A1 (0.38) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11697962 0.85 KMT2A (0.46) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11697959 0.85 KMT2A (0.46) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11696282 0.85 MAPT (0.45) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11696290 0.85 MAPT (0.45) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11968683 0.84 MAPT (0.51) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11699317 0.84 MAPT (0.51) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL11699306 0.84 MAPT (0.51) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL14039607 0.82 GAA (0.44) MAPTKMT2AALDH1A1MEN1GAA

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 MAPT 3448/4885KMT2A 4544/4885ALDH1A1 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.