SCHEMBL10035015

SCHEMBL10035015

COCOc1ccc([N+](=O)[O-])cc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
PAX8 Q06710 1/20 0.50
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
SLC6A5 Q9Y345 2/20 0.48
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
HSP90AA1 P07900 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A9 P48067 1/20 0.47

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
SCHEMBL520263 0.86 SLC6A5 (0.61) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL29833031 0.86 SLC6A5 (0.61) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL2483209 0.80 SLC6A5 (0.55) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL12525222 0.80 KMT2A (0.54) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL30736225 0.79 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL21808580 0.79 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL2062084 0.78 SLC6A5 (0.64) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL29788533 0.78 SLC6A5 (0.64) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL12528187 0.77 SLC6A5 (0.63) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL3252580 0.74 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPK1HTT

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
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 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 (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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN ALDH1A1 1151/4885LMNA 2633/4885SMN1; SMN2 4689/4885

“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.