SCHEMBL4875431

SCHEMBL4875431

N=C(NO)c1ccc(Oc2cc(Cl)ccc2N)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TTR P02766 6/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
MAPT P10636 3/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HSPA5 P11021 1/20 0.42
CBR1 P16152 1/20 0.42
TBXA2R P21731 1/20 0.42
AGTR1 P30556 1/20 0.42
SLC6A4 P31645 4/20 0.40
CYP2C9 P11712 2/20 0.39

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
SCHEMBL4965689 0.79 TTR (0.58) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL4876505 0.76 TTR (0.43) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL4875968 0.75 ALDH1A1 (0.49) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL7668913 0.74 CYP3A4 (0.52) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL9658557 0.72 TTR (0.57) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL2327744 0.70 SCN9A (0.39) F2F10
SCHEMBL1963869 0.70 RORC (0.49) LMNAF2F10SMN1; SMN2KDM4E
SCHEMBL5142606 0.69 TTR (0.59) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL9657527 0.69 TTR (0.44) HPGDALDH1A1POLBGAAL3MBTL1
SCHEMBL11453570 0.69 TTR (0.58) HPGDALDH1A1POLBGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 HPGD 700/4885ALDH1A1 1551/4885POLB 2888/4885

“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.