SCHEMBL13019646

SCHEMBL13019646

C/N=N/c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.45
DUSP3 P51452 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL8222001 0.84 TDP1 (0.64) TDP1SMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL18887676 0.81 TDP1 (0.67) TDP1SMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL3305095 0.80 TDP1 (0.64) TDP1SMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL472112 0.78 TDP1 (1.00) TDP1SMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL3837781 0.77 CYP3A4 (0.63) TDP1SMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL7119559 0.76 TDP1 (0.58) TDP1SMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL28032029 0.76 TDP1 (0.58) TDP1SMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL9550119 0.72 TDP1 (0.78) TDP1SMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL700469 0.72 TSHR (1.00) TDP1SMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL29538967 0.72 TSHR (1.00) TDP1SMN1; SMN2TSHRALDH1A1MEN1

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 1 patent. 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

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B TDP1 3089/4885SMN1; SMN2 69/4885TSHR 3774/4885

“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.