SCHEMBL8192014

SCHEMBL8192014

Cc1c([N+](=O)[O-])ccnc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 7/20 0.42
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL9784672 0.83 TDP1 (0.46) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL16856847 0.79 TDP1 (0.39) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL31481283 0.77 TDP1 (0.50) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL2773204 0.76 TDP1 (0.54) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL12898049 0.75 TDP1 (0.39) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL5055510 0.75 TDP1 (0.39) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL3769047 0.75 PDE10A (0.51) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL27643164 0.74 TDP1 (0.52) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL29401720 0.74 TDP1 (0.52) TDP1TSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL28042070 0.73 SMN1; SMN2 (0.45) TDP1TSHRSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103613581-A Preparation method for Dexiansoprazole SHANDONG INST PHARMACEUTICAL INDUSTRY 2014-03-05 CN disclosed
US-20110028518-A1 DEXLANSOPRAZOLE PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-03 US disclosed
US-20110028518-A1 DEXLANSOPRAZOLE PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-03 US disclosed
WO-2009117489-A1 DEXLANSOPRAZOLE PROCESS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2009-09-24 WO disclosed
WO-2000000474-A1 PYRIDINE BUILDING BLOCKS AS INTERMEDIATES IN THE SYNTHESIS OF PHARMACEUTICALLY ACTIVE COMPOUNDS RUSSINSKY LIMITED (IE) 2000-01-06 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-20110028518-A1 DEXLANSOPRAZOLE PROCESS AND POLYMORPHS CYP2C19, CYP3A4, CYP2D6 TDP1 1998/4885TSHR 2051/4885SMN1; SMN2 1899/4885

“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.