SCHEMBL6741363

SCHEMBL6741363

CCN(CC)c1ccc(/C=N/NC(=N)N)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.68
KDM4E B2RXH2 14/20 0.68
LMNA P02545 8/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
ALDH1A1 P00352 11/20 0.67
HPGD P15428 7/20 0.67
GAA P10253 5/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
HTT P42858 7/20 0.62
ALOX12 P18054 1/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 6/20 0.58

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
SCHEMBL6741369 1.00 MAPT (0.68) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5703118 0.99 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5703112 0.99 MAPT (0.67) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL9458235 0.89 MAPT (0.70) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL4322243 0.87 MAPT (0.75) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL4322240 0.87 MAPT (0.75) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL16993728 0.84 KDM4E (0.61) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5703330 0.83 KDM4E (0.60) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL28377843 0.82 MAPT (0.72) MAPTKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL17044423 0.79 MAPT (0.47) MAPTKDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO disclosed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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 (2 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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 MAPT 309/4885KDM4E 1240/4885LMNA 448/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885KDM4E 1568/4885LMNA 866/4885

“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.