Sugi Predict

Sugi Predict / Compounds / SCHEMBL3607570

SCHEMBL3607570

SCHEMBL3607570

CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1N

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ CYP3A4 P08684 4/20 0.46
▸ TSHR P16473 2/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL9109250 0.90 HTT (0.47) HTTPOLBALDH1A1CYP3A4TSHR
SCHEMBL5163677 0.89 ALDH1A1 (0.50) HTTPOLBALDH1A1CYP3A4TSHR
SCHEMBL2354936 0.83 ALDH1A1 (0.62) HTTPOLBALDH1A1CYP3A4TSHR
SCHEMBL14369940 0.81 TSHR (0.52) HTTPOLBALDH1A1CYP3A4TSHR
SCHEMBL1645387 0.80 ALDH1A1 (0.58) HTTALDH1A1CYP3A4TSHRTDP1
SCHEMBL3690500 0.79 MAPT (0.51) HTTALDH1A1CYP3A4TSHRTDP1
SCHEMBL6978784 0.79 MEN1 (0.55) HTTALDH1A1TSHRCYP19A1TDP1
SCHEMBL7928377 0.79 TSHR (0.45) HTTPOLBALDH1A1TSHRCYP19A1
SCHEMBL28017359 0.76 TSHR (0.42) HTTPOLBALDH1A1TSHRCYP19A1
SCHEMBL11526155 0.75 ALDH1A1 (0.51) HTTALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005035121-A2 SCHIFF BASE METAL COMPLEXES FOR USE AS CATALYSTS IN ORGANIC SYNTHESIS UNIVERSITEIT GENT (BE) 2005-04-21 — — WO claimed
CN-117624034-A Nitro-substituted nickel picolinate (II) catalyst for preparing linear low-density polyethylene 中国科学院化学研究所 2024-03-01 — — CN disclosed
CN-108864343-B Binuclear (alpha-diimine) nickel/palladium olefin catalyst, preparation and application 浙江大学 2021-01-05 — — CN disclosed
CN-108864342-B Binuclear (alpha-diimine) nickel/palladium olefin catalyst and preparation and application thereof 浙江大学 2020-10-09 — — CN disclosed
US-8933077-B2 Glucokinase activators ARRAY BIOPHARMA INC. (US) 2015-01-13 — — US disclosed
US-20100056530-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2010-03-04 — — US disclosed
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 — — US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 — — EP disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 — — US disclosed
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 — — US disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 — — US disclosed
WO-1999026949-A1 SCHIFF BASE DERIVATIVES OF RUTHENIUM AND OSMIUM OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-06-03 — — WO disclosed
WO-1999022865-A1 ACID ACTIVATION OF RUTHENIUM METATHESIS CATALYSTS AND LIVING ROMP METATHESIS POLYMERIZATION IN WATER CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-05-14 — — WO disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 — — US disclosed
WO-1998042664-A1 CATALYST COMPOSITIONS AND PROCESSES FOR OLEFIN POLYMERS AND COPOLYMERS CRYOVAC, INC. (US) 1998-10-01 — — WO disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 — — EP disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 — — US disclosed
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 — — US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 — — EP disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 — — EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT HTT 1010/4885POLB 1766/4885ALDH1A1 88/4885
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 HTT 4243/4885POLB 580/4885ALDH1A1 159/4885
US-20100056530-A1 GLUCOKINASE ACTIVATORS GCKR, GCK, GALK1 HTT 2611/4885POLB 2420/4885ALDH1A1 1377/4885

“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.