SCHEMBL1476531

SCHEMBL1476531

Cc1cccc([N+](=O)[O-])c1C([O])=O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
TSHR P16473 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 1/20 0.57
GPR35 Q9HC97 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KCNMA1 Q12791 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL33666 0.85 TDP1 (1.00) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL5725578 0.85 TDP1 (0.74) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL1585523 0.85 TDP1 (1.00) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL1806105 0.84 TDP1 (0.72) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL31151600 0.84 TDP1 (0.72) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL1806108 0.84 TDP1 (0.72) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL6655711 0.84 TDP1 (0.72) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
Potassium Ion SCHEMBL15876228 0.84 TDP1 (0.72) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL329162 0.82 TDP1 (0.70) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL29627171 0.82 TDP1 (0.70) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US claimed
US-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US disclosed
US-20060135775-A1 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1632482-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE QUINOLONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-08 EP 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-20060135775-A1 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives NQO2, COASY, DHPS TDP1 4021/4885L3MBTL1 4326/4885TSHR 4132/4885

“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.