SCHEMBL3686573

SCHEMBL3686573

CCn1cc(Br)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
CNR2 P34972 1/20 0.39
PLA2G2A P14555 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
GPR35 Q9HC97 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
SLC5A2 P31639 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MET P08581 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR4A2 P43354 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15554326 0.79 ALDH1A1 (0.39) TDP1CNR2PLA2G2ASMN1; SMN2TSHR
SCHEMBL1821906 0.77 CNR2 (0.47) TDP1CNR2PLA2G2ASMN1; SMN2TSHR
SCHEMBL3690830 0.77 MCL1 (0.39) TDP1CNR2PLA2G2ASMN1; SMN2TSHR
SCHEMBL3686582 0.72 TDP1 (0.39) TDP1PLA2G2ASMN1; SMN2TSHRGPR35
SCHEMBL3690450 0.71 GAA (0.49) TDP1SMN1; SMN2TSHRGPR35ALDH1A1
SCHEMBL16079468 0.70 HTR6 (0.60) HTR2AHTR2C
SCHEMBL15826054 0.69 PDE10A (0.44) TDP1SMN1; SMN2ALDH1A1POLBMET
SCHEMBL19869857 0.68 GAA (0.56) TDP1SMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL14981597 0.68 TDP1 (0.47) TDP1PLA2G2ASMN1; SMN2TSHRALDH1A1
SCHEMBL26630271 0.68 MAPT (0.56) TDP1CNR2SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
CN-101917999-A Modulation of protein trafficking FOLDRX PHARMACEUTICALS INC 2010-12-15 CN disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
CN-101460161-A Inhibition of alpha-synuclein toxicity FOLDRX PHARMACEUTICALS INC (US) 2009-06-17 CN disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
EP-2007373-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY Foldrx Pharmaceuticals, Inc. (US) 2008-12-31 EP disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 TDP1 356/4885CNR2 4273/4885PLA2G2A 2982/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B TDP1 3089/4885CNR2 3822/4885PLA2G2A 1879/4885

“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.