SCHEMBL5752591

SCHEMBL5752591

Cc1nc2cc(Cl)c(C=O)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.44
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
TYMS P04818 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNB2 P17787 1/20 0.39

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
SCHEMBL5752586 0.93 ALDH1A1 (0.53) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL29954905 0.93 ALDH1A1 (0.53) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL20344213 0.80 ALDH1A1 (0.45) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL316047 0.80 ALDH1A1 (0.60) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL8264566 0.77 ALDH1A1 (0.56) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL31735654 0.74 ALDH1A1 (0.53) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL2947016 0.74 ALDH1A1 (0.53) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL13041691 0.73 ALDH1A1 (0.59) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL12020717 0.73 ALDH1A1 (0.56) ALDH1A1TDP1HSP90AA1ESR2MAPT
SCHEMBL4230805 0.72 ALDH1A1 (0.56) ALDH1A1TDP1HSP90AA1ESR2MAPT

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
EP-1379234-B1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2006-03-29 EP disclosed
US-6919336-B2 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of IL-1 and TNF NOVARTIS AG (CH) 2005-07-19 US disclosed
US-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf NOVARTIS AG (CH) 2004-05-20 US disclosed
EP-1379234-A1 HALOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF Novartis AG (CH) 2004-01-14 EP disclosed
WO-2002076447-A1 HALLOGENATED AMINOBENZOPHENONES AND AMINOBENZOYLPYRIDINES AS INHIBITORS OF IL-1 AND TNF NOVARTIS AG (CH) 2002-10-03 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 (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-20040097731-A1 Hallogenated aminobenzophenones and aminobenzoylpyridines as inhibitors of il-1and tnf TNF, NFKBIA, IL1A ALDH1A1 299/4885TDP1 1429/4885HSP90AA1 1000/4885

“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.