Sugi Predict

Sugi Predict / Compounds / SCHEMBL3326580

SCHEMBL3326580

SCHEMBL3326580

CC(COOC(=O)Cl)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.47
▸ ALDH1A1 P00352 13/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 10/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL12050506 0.88 SRC (0.49) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3759745 0.83 SRC (0.51) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL12050503 0.81 ALDH1A1 (0.53) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3759748 0.81 SRC (0.50) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3759750 0.81 SRC (0.50) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL4527630 0.79 SRC (0.52) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3768323 0.79 SRC (0.52) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3325844 0.78 SRC (0.57) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL14782111 0.78 SRC (0.48) SRCALDH1A1LMNAMAPTMEN1
SCHEMBL3326237 0.78 SRC (0.48) SRCALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 — — US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 — — US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 — — US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 — — US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 — — US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 — — US disclosed
US-20060122408-A1 Photogenerated reagents LC SCIENCES LC 2006-06-08 — — US disclosed
US-6965040-B1 Photogenerated reagents Gao, Xiaolian (US) 2005-11-15 — — 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 (4 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-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885ALDH1A1 1813/4885LMNA 3491/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885ALDH1A1 1813/4885LMNA 3491/4885
US-20060122408-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885ALDH1A1 1813/4885LMNA 3491/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR SRC 1914/4885ALDH1A1 1813/4885LMNA 3491/4885

“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.