SCHEMBL4514236

SCHEMBL4514236

CC(C)(C)c1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PDE7A Q13946 1/20 0.46
TSHR P16473 4/20 0.44
GPR35 Q9HC97 2/20 0.44
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
S100A4 P26447 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
SCHEMBL18286925 0.86 TDP1 (0.58) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL11794427 0.86 TDP1 (0.46) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL8975016 0.86 TDP1 (0.46) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL11791465 0.83 TDP1 (0.43) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL28303063 0.81 ALDH1A1 (0.46) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL6886942 0.79 TSHR (0.60) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL11529022 0.79 TDP1 (0.50) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL2537553 0.78 TDP1 (0.42) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL6886786 0.78 TDP1 (0.48) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL17109851 0.78 TDP1 (0.48) TDP1SMN1; SMN2TSHRGPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TDP1 934/4885SMN1; SMN2 251/4885PDE7A 4300/4885

“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.