SCHEMBL5363500

SCHEMBL5363500

Cc1cc([N+](=O)[O-])ccc1N1CCCS1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 4/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 1/20 0.41
PAX8 Q06710 2/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL14864875 0.84 GAA (0.42) ALDH1A1CYP3A4GAAL3MBTL1LMNA
SCHEMBL14864870 0.80 GAA (0.44) ALDH1A1CYP3A4GAAL3MBTL1LMNA
SCHEMBL2760314 0.79 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5353846 0.77 MAPT (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1814157 0.77 KMT2A (0.51) ALDH1A1TDP1TSHRCYP3A4GAA
SCHEMBL29623545 0.77 MEN1 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL18010591 0.77 MEN1 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL5352352 0.77 MAPT (0.53) ALDH1A1GAALMNAMAPTMEN1
SCHEMBL6221391 0.75 GAA (0.69) ALDH1A1CYP3A4GAAL3MBTL1LMNA
SCHEMBL242441 0.75 GAA (0.69) ALDH1A1CYP3A4GAAL3MBTL1LMNA

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
US-7199133-B2 Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
US-7199133-B2 Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
US-7199133-B2 Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GESELLSCHAFT (DE) 2007-04-03 US disclosed
US-20040254175-A1 Derivatives of phenoxy-n-'4-(isothiazolindin-1,1-dioxid-2yl)phenyl!-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors MERCK PATENT GMBH (DE) 2004-12-16 US disclosed
WO-2003039543-A1 DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2003-05-15 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-20040254175-A1 Derivatives of phenoxy-n-'4-(isothiazolindin-1,1-dioxid-2yl)phenyl!-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors F2, F11, SERPINC1 ALDH1A1 949/4885TDP1 591/4885TSHR 2342/4885

“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.