SCHEMBL5378190

SCHEMBL5378190

CNc1ccc(C(=O)CCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 12/20 0.69
CDC25B P30305 1/20 0.59
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL9412629 0.92 HCAR3 (0.66) HCAR3CDC25BHTTMAPTGAA
SCHEMBL11275082 0.87 HCAR3 (0.67) HCAR3CDC25BHTTMAPTALDH1A1
SCHEMBL6506088 0.86 KMT2A (0.62) HCAR3HTTMAPTGAAALDH1A1
SCHEMBL27268253 0.84 HCAR3 (0.70) HCAR3CDC25BHTTMAPTALDH1A1
SCHEMBL11752957 0.83 HCAR3 (0.51) HCAR3MAPTGAAALDH1A1KMT2A
SCHEMBL12190709 0.83 HCAR3 (0.68) HCAR3CDC25BHTTMAPTALDH1A1
SCHEMBL9251399 0.83 HCAR3 (0.64) HCAR3CDC25BHTTMAPTALDH1A1
SCHEMBL321911 0.82 HCAR3 (1.00) HCAR3CDC25BKMT2AMEN1
SCHEMBL10524428 0.81 HCAR3 (0.76) HCAR3MAPTGAAALDH1A1KMT2A
SCHEMBL15505486 0.81 TSHR (0.67) MAPTGAAALDH1A1KMT2AMEN1

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
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
EP-1228060-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001032649-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 HCAR3 219/4885CDC25B 2400/4885HTT 2939/4885

“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.