SCHEMBL5252467

SCHEMBL5252467

Cc1ccc(CCc2ccc(C)cc2N)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
ALOX15 P16050 3/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 2/20 0.50
CA1 P00915 1/20 0.48
TAAR1 Q96RJ0 1/20 0.45
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
CYP1A2 P05177 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 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
SCHEMBL11779978 0.89 SLC6A4 (0.47) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL25161712 0.89 TAAR1 (0.48) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL4410768 0.89 TDP1 (0.50) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL11776805 0.88 CYP3A4 (0.50) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL14730130 0.87 TDP1 (0.48) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL7872556 0.87 ALDH1A1 (0.48) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL4001757 0.85 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL29617187 0.85 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL5032198 0.85 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL30316721 0.85 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 WO claimed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 EP disclosed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US disclosed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT TDP1 122/4885ALOX15 1506/4885CYP3A4 3514/4885

“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.