Sugi Predict

Sugi Predict / Compounds / SCHEMBL842749

SCHEMBL842749

SCHEMBL842749

COC(=O)C(C)(C)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.57
▸ CYP1A2 P05177 2/20 0.46
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL27725709 0.81 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL1665793 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL1665948 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL30111358 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL10178099 0.80 ALDH1A1 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL28364924 0.78 CYP1A2 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL15539877 0.78 CYP1A2 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL15540201 0.78 CYP1A2 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL28369041 0.78 CYP1A2 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR
SCHEMBL16795918 0.78 CYP1A2 (0.53) ALDH1A1NPSR1CYP1A2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 — — US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 — — US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 — — US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 — — EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — WO disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 ALDH1A1 142/4885NPSR1 1661/4885CYP1A2 39/4885

“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.