SCHEMBL5483633

SCHEMBL5483633

COc1ccc(N2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.65
RECQL P46063 1/20 0.65
GAA P10253 3/20 0.64
ALDH1A1 P00352 12/20 0.63
MAPK1 P28482 9/20 0.63
LMNA P02545 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
TP53 P04637 1/20 0.63
HTT P42858 2/20 0.61
HSP90AA1 P07900 1/20 0.60
HPGD P15428 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL5098517 0.88 ALDH1A1 (0.62) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL5323662 0.87 MAPT (0.67) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL9515788 0.87 MAPT (0.63) MAPTRECQLALDH1A1MAPK1LMNA
Hydrochloric Acid SCHEMBL5326598 0.86 MAPT (0.66) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL12643176 0.86 MAPT (0.74) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL14376967 0.86 MAPT (0.62) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL7062190 0.85 GAA (0.57) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL14335122 0.85 MAPT (0.58) MAPTRECQLGAAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL15819898 0.85 MAPT (0.61) MAPTRECQLGAAALDH1A1MAPK1
SCHEMBL4435949 0.83 MAPT (0.63) MAPTRECQLGAAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226927-B2 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-05 US disclosed
EP-1351691-A4 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-06-22 EP disclosed
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-05-20 US disclosed
US-6716851-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1351691-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2003-10-15 EP disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO 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-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 MAPT 4540/4885RECQL 2166/4885GAA 2583/4885
US-20040097503-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators of caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 MAPT 4569/4885RECQL 2083/4885GAA 2634/4885

“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.