Sugi Predict

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SCHEMBL732273

SCHEMBL732273

N#Cc1ccc(C(=O)COC(c2c[nH]cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KCNA5 P22460 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ CTSG P08311 1/20 0.32
▸ CTRB1 P17538 1/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL729746 0.81 MEN1 (0.37) POLBKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL731885 0.80 AGER (0.35) KMT2AMAPTMEN1
SCHEMBL3120536 0.79 AGER (0.34) KMT2AMAPTMEN1
SCHEMBL729770 0.75 MEN1 (0.31) MEN1
SCHEMBL8156288 0.75 MAOB (0.39) RAB9ASMN1; SMN2GAANPC1L3MBTL1
SCHEMBL5891827 0.74 CYP19A1 (0.36) TSHR
SCHEMBL732058 0.74 SLC6A2 (0.36) —
SCHEMBL730322 0.73 — —
SCHEMBL7260793 0.73 KCNH2 (0.34) POLBKMT2AMAPTALDH1A1
SCHEMBL729979 0.72 PRSS1 (0.31) PRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 — — US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 — — US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 — — US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 — — EP disclosed
EP-2007771-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-04-07 — — EP disclosed
US-20090192149-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 — — US disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 — — 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 (3 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-20090192149-A1 Imidazo Compounds CYP19A1, CYP11B2, GPER1 GSK3B 1859/4885POLB 1798/4885RAB9A 2405/4885
US-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 GSK3B 2228/4885POLB 2335/4885RAB9A 2184/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 GSK3B 2142/4885POLB 1836/4885RAB9A 1780/4885

“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.