SCHEMBL13284231

SCHEMBL13284231

NCc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SNCA P37840 2/20 0.41
MAPT P10636 2/20 0.38
CA12 O43570 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL10524423 0.87 LOXL2 (0.52) LOXL2TSHRALDH1A1SNCAMAPT
SCHEMBL4978604 0.87 TSHR (0.46) LOXL2TSHRALDH1A1SNCAMAPT
SCHEMBL2135817 0.79 ALDH1A1 (0.45) TSHRALDH1A1SNCAMAPTCA12
SCHEMBL2768561 0.79 TDP1 (0.58) TSHRALDH1A1SNCAMAPTCA12
SCHEMBL5175273 0.79 GPR35 (0.56) LOXL2TSHRALDH1A1SNCAMAPT
SCHEMBL2766494 0.79 TDP1 (0.58) TSHRALDH1A1SNCAMAPTCA12
Hydrochloric Acid SCHEMBL11086100 0.78 LOXL2 (0.53) LOXL2TSHRALDH1A1MAPTCA12
SCHEMBL1437048 0.78 TSHR (0.47) LOXL2TSHRALDH1A1SNCAMAPT
SCHEMBL8832188 0.77 GPR35 (0.58) TSHRALDH1A1MAPTCA12TDP1
SCHEMBL13858882 0.77 TSHR (0.44) TSHRALDH1A1SNCACA12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190151-A1 FLUORESCENTLY LABELED NUCLEOSIDE TRIPHOSPHATES AND ANALOGS THEREOF FOR SEQUENCING NUCLEIC ACIDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2010-07-29 US disclosed
US-20070117104-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 US disclosed
US-20070117103-A1 Nucleotide analogs FLUIDIGM CORPORATION 2007-05-24 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 (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-20070117103-A1 Nucleotide analogs NT5C2, NT5C3B, NUDT1 LOXL2 4724/4885TSHR 2431/4885ALDH1A1 2887/4885
US-20070117104-A1 Nucleotide analogs NT5C2, NT5C3B, NUDT1 LOXL2 4724/4885TSHR 2431/4885ALDH1A1 2887/4885

“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.