SCHEMBL12643176

SCHEMBL12643176

COc1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.74
ALDH1A1 P00352 10/20 0.62
LMNA P02545 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 3/20 0.61
HPGD P15428 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
MAPK1 P28482 4/20 0.59
GFER P55789 1/20 0.58
HSP90AA1 P07900 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
PAX8 Q06710 1/20 0.58
CYP3A4 P08684 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL2062011 0.89 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5483633 0.86 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL5323662 0.84 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL5326598 0.83 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL14376967 0.83 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL15819898 0.82 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL19030042 0.81 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL259406 0.81 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4435949 0.81 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL4255526 0.81 MAPT (0.76) MAPTALDH1A1LMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 WO disclosed
EP-2327677-A1 Mono-nitration of aromatic compounds F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
US-7429589-B2 Mono-nitration of aromatic compounds via nitrate salts HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
US-7429589-B2 Mono-nitration of aromatic compounds via nitrate salts HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
WO-2007125034-A2 MONO-NITRATION OF AROMATIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
US-20070255057-A1 Mono-nitration of aromatic compounds via nitrate salts CEDILOTE MIALL 2007-11-01 US disclosed
US-20070255057-A1 Mono-nitration of aromatic compounds via nitrate salts CEDILOTE MIALL 2007-11-01 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-20070255057-A1 Mono-nitration of aromatic compounds via nitrate salts NOS2, NOS3, NOS1 MAPT 1554/4885ALDH1A1 722/4885LMNA 3223/4885

“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.