SCHEMBL3686582

SCHEMBL3686582

CCn1nc(Br)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 1/20 0.37
PLA2G2A P14555 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2052141 0.83 CSF1R (0.40) TDP1PLA2G2AKMT2ADCTPP1
SCHEMBL15312704 0.82 CSF1R (0.38) TDP1PLA2G2ASMN1; SMN2NOS1NOS2
SCHEMBL2052723 0.82 PLA2G2A (0.44) GRM2PLA2G2AMAPTMAPK1RAB9A
SCHEMBL2052185 0.81 LMNA (0.43) TSHRSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL31500702 0.81 TDP1 (0.42) TDP1TSHRHSD17B10SMN1; SMN2NOS1
SCHEMBL2048637 0.80 CSF1R (0.45) TDP1ALDH1A1DCTPP1
SCHEMBL2048708 0.78 KDM4E (0.41) PLA2G2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2049433 0.78 LMNA (0.39) TDP1TSHRHSD17B10PLA2G2ASMN1; SMN2
SCHEMBL15312793 0.78 ALDH1A1 (0.37) TDP1TSHRHSD17B10SMN1; SMN2NOS1
SCHEMBL2051375 0.78 KMT2A (0.40) SMN1; SMN2ALDH1A1MAPTMEN1CYP1A2

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 14 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
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 356/4885TSHR 4299/4885HSD17B10 3675/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B TDP1 3089/4885TSHR 3774/4885HSD17B10 2855/4885

“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.