Sugi Predict

Sugi Predict / Compounds / SCHEMBL942641

SCHEMBL942641

SCHEMBL942641

COc1cccc([N+](=O)[O-])c1CC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ HPGD P15428 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ RAB9A P51151 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RECQL P46063 1/20 0.42
▸ MAPT P10636 7/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ ADRA1B P35368 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 1/20 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
SCHEMBL31143078 1.00 ALDH1A1 (0.56) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL11356039 0.85 ALDH1A1 (0.51) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL3417023 0.84 ALDH1A1 (0.65) ALDH1A1TDP1HPGDRAB9AKMT2A
SCHEMBL11362222 0.83 NPC1 (0.49) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL1126722 0.81 ALDH1A1 (0.62) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL19301918 0.80 ALDH1A1 (0.57) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL30116204 0.80 ALDH1A1 (0.57) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL7332578 0.80 CA1 (0.44) ALDH1A1TDP1HPGDRAB9AKMT2A
SCHEMBL18185050 0.80 ALDH1A1 (0.61) ALDH1A1TDP1HPGDL3MBTL1RAB9A
SCHEMBL942091 0.80 ALDH1A1 (0.61) ALDH1A1TDP1HPGDL3MBTL1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56115771-A — — None — — JP disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 — — US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 — — US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 — — US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 — — EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 — — EP disclosed
US-8524705-B2 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl)-acetamide derivatives and related compounds as antifungal agents F2G LIMITED BRITISH BODY CORPORATE (GB) 2013-09-03 — — US disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 — — EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 — — US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 — — EP disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 — — EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 — — WO disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 — — WO disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 — — US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 — — US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 — — WO disclosed
EP-0826669-B1 Composition for dyeing keratin fibres containing 2-iminoindol derivatives OREAL (FR) 1999-06-30 — — EP disclosed
US-5876465-A Compositions for dyeing keratin fibres containing 2-iminoindoline derivatives and dyeing process L'OREAL (FR) 1999-03-02 — — US disclosed
EP-0826669-A1 Composition for dyeing keratin fibres L'OREAL (FR) 1998-03-04 — — EP disclosed
JP-S56115771-A PREPARATION OF 4-HYDROXYINDOLE YAMAMOTO KAGAKU KOGYO KK 1981-09-11 — — JP 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-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 ALDH1A1 783/4885TDP1 3616/4885HPGD 2100/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885TDP1 903/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ALDH1A1 219/4885TDP1 903/4885HPGD 2971/4885

“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.