Sugi Predict

Sugi Predict / Compounds / SCHEMBL630072

SCHEMBL630072

SCHEMBL630072

O=C(O)c1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.62
▸ MAX P61244 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ PTGDR2 Q9Y5Y4 1/20 0.57
▸ POLB P06746 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CTSV O60911 1/20 0.54
▸ CTSL P07711 1/20 0.54
▸ PTGS2 P35354 2/20 0.52
▸ CES2 O00748 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.49

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
SCHEMBL31376933 1.00 MYC (0.62) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL9474889 0.92 ALDH1A1 (0.60) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL6624800 0.91 MYC (0.54) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL9186591 0.90 TDP1 (0.58) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL6536344 0.90 TDP1 (0.58) MYCMAXALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL8529252 0.90 ALDH1A1 (0.56) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL10605676 0.88 ALDH1A1 (0.68) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL7824186 0.88 ALDH1A1 (0.68) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL9190149 0.87 TDP1 (0.61) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL27958260 0.87 KMT2A (0.58) MYCMAXALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10716795-B2 Steroid analogues for neuroprotection EMORY UNIVERSITY (US) 2020-07-21 — — US disclosed
US-20180221390-A1 Steroid Analogues for Neuroprotection UNIV EMORY (US) 2018-08-09 — — US disclosed
US-9718763-B2 Catalytic ester decarbonylation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-08-01 — — US disclosed
CN-104860893-B A kind of synthetic method of ultra-violet absorber octyl triazone 三峡大学 2017-07-11 — — CN disclosed
US-9617525-B2 Phosphotriesterase enzymes, methods and compositions related thereto NEW YORK UNIVERSITY (US) 2017-04-11 — — US disclosed
US-20170065615-A1 Steroid Analogues for Neuroprotection UNIV EMORY (US) 2017-03-09 — — US disclosed
US-9527881-B2 Steroid analogues for neuroprotection EMORY UNIVERSITY (US) 2016-12-27 — — US disclosed
US-9499558-B2 Compounds and methods for treating HIV PURDUE RESEARCH FOUNDATION (US) 2016-11-22 — — US disclosed
US-20160194276-A1 CATALYTIC ESTER DECARBONYLATION REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-07-07 — — US disclosed
US-20160083702-A1 NOVEL PHOSPHOTRIESTERASE ENZYMES, METHODS AND COMPOSITIONS RELATED THERETO NEW YORK UNIVERSITY 2016-03-24 — — US disclosed
EP-0697618-A1 Method for producting silver halide grain and silver halide emulsion using the grain FUJI PHOTO FILM CO., LTD. (JP) 1996-02-21 — — EP disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 — — US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 — — US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 — — EP disclosed
EP-0512074-A4 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS — 1993-07-14 — — EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 — — EP disclosed
US-5187086-A Molecules with antibody combining sites that catalyze hydrolysis reactions through use of a charged hapten SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-02-16 — — US disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 — — US disclosed
EP-0512074-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1992-11-11 — — EP disclosed
WO-1991011512-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-08-08 — — 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 (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-20180221390-A1 Steroid Analogues for Neuroprotection CYP11A1, NR3C2, HSD17B7 MYC 4552/4885MAX 4811/4885ALDH1A1 3178/4885
US-20160194276-A1 CATALYTIC ESTER DECARBONYLATION DECR1, C1S, CBR3 MYC 1738/4885MAX 3614/4885ALDH1A1 124/4885
US-10716795-B2 Steroid analogues for neuroprotection CYP11A1, NR3C2, HSD17B7 MYC 4552/4885MAX 4811/4885ALDH1A1 3178/4885
US-20170065615-A1 Steroid Analogues for Neuroprotection CYP11A1, NR3C2, HSD17B7 MYC 4552/4885MAX 4811/4885ALDH1A1 3178/4885

“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.