SCHEMBL3634865

SCHEMBL3634865

Cc1ccc([N+](=O)[O-])c(F)c1C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 5/20 0.50
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.39
HPGD P15428 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
SCHEMBL3391686 0.87 HSD17B10 (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL29740027 0.87 HSD17B10 (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL1636077 0.86 TDP1 (0.60) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL14411817 0.85 TDP1 (0.54) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL574038 0.83 TDP1 (0.50) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL29888274 0.83 TDP1 (0.50) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL3192674 0.82 TSHR (0.65) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL20942954 0.82 TDP1 (0.47) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL18589140 0.82 ALDH1A1 (0.49) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL18311461 0.81 TDP1 (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1

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
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 US disclosed
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2011-05-05 US disclosed
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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 (3 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 TSHR 4209/4885SMN1; SMN2 3532/4885TDP1 1839/4885
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 TSHR 4680/4885SMN1; SMN2 4436/4885TDP1 4832/4885
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 TSHR 4061/4885SMN1; SMN2 22/4885TDP1 1700/4885

“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.