Sugi Predict

Sugi Predict / Compounds / SCHEMBL796491

SCHEMBL796491

SCHEMBL796491

CC(C)(C)OC(=O)C(C#N)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.46
▸ GAA P10253 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 6/20 0.39
▸ LMNA P02545 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GLA P06280 1/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35

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
SCHEMBL2761873 0.81 ALDH1A1 (0.46) CYP1A2KMT2AMEN1MAPTLMNA
SCHEMBL9375643 0.80 CYP2C19 (0.48) CYP2C19GAACYP1A2SMN1; SMN2KMT2A
SCHEMBL22436421 0.80 KMT2A (0.42) GAASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL2440167 0.80 KMT2A (0.42) GAASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29839314 0.80 KMT2A (0.45) GAASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7499244 0.79 CYP2C19 (0.53) CYP2C19GAACYP1A2SMN1; SMN2KMT2A
SCHEMBL25028822 0.78 KMT2A (0.40) GAASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2439434 0.78 SMN1; SMN2 (0.46) GAASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL18248722 0.77 KMT2A (0.43) CYP2C19GAACYP1A2SMN1; SMN2KMT2A
SCHEMBL7602483 0.77 CYP2C19 (0.45) CYP2C19GAACYP1A2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 — — US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 — — US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 — — US disclosed
WO-2014066726-A2 COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2014-05-01 — — WO disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 — — US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 — — US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 — — US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 — — EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 — — WO disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 — — 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR CYP2C19 2006/4885GAA 2258/4885CYP1A2 1083/4885

“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.