SCHEMBL3149944

SCHEMBL3149944

COc1cc(Cl)ccc1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 4/20 0.59
ESRRA P11474 1/20 0.54
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNH2 Q12809 1/20 0.52
MAPT P10636 5/20 0.50
PIN1 Q13526 1/20 0.50
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1340625 0.85 L3MBTL1 (1.00) L3MBTL1ALDH1A1TDP1HPGDESRRA
SCHEMBL1340661 0.84 L3MBTL1 (0.74) L3MBTL1ALDH1A1TDP1HPGDESRRA
SCHEMBL640965 0.84 HPGD (0.73) L3MBTL1ALDH1A1TDP1HPGDSLC6A2
SCHEMBL16296010 0.84 HPGD (0.73) L3MBTL1ALDH1A1TDP1HPGDMAPT
SCHEMBL30392319 0.84 HPGD (0.73) L3MBTL1ALDH1A1TDP1HPGDSLC6A2
SCHEMBL17428655 0.82 S1PR4 (0.59) L3MBTL1ALDH1A1HPGDMAPTLMNA
SCHEMBL102625 0.81 TSHR (0.58) L3MBTL1ALDH1A1TDP1HPGDMAPT
SCHEMBL8091743 0.81 HPGD (0.60) L3MBTL1ALDH1A1TDP1HPGDMAPT
SCHEMBL5026728 0.81 ALDH1A1 (0.75) L3MBTL1ALDH1A1TDP1HPGDESRRA
SCHEMBL3201377 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1TDP1HPGDESRRA

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-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US disclosed
EP-2074083-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-01 EP disclosed
WO-2008050168-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 L3MBTL1 3132/4885ALDH1A1 3552/4885TDP1 4157/4885

“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.