Sugi Predict

Sugi Predict / Compounds / SCHEMBL1733957

SCHEMBL1733957

SCHEMBL1733957

CC(C)(C)OC(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.58
▸ PDK2 Q15119 1/20 0.58
▸ PDK3 Q15120 1/20 0.58
▸ PDK4 Q16654 1/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ TP53 P04637 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.51
▸ PHGDH O43175 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NFKB1 P19838 1/20 0.47

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
SCHEMBL23420826 0.87 GAA (0.61) KMT2AMEN1RAB9AGAACYP3A4
SCHEMBL31554682 0.86 PDK1 (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL31236073 0.86 MAPT (0.49) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL13902311 0.86 MAPK1 (0.44) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL383044 0.85 PDK1 (0.59) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL1585922 0.85 GAA (0.56) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL26343169 0.85 TDP1 (0.51) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL8661235 0.84 PDK1 (0.49) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL3659889 0.84 KMT2A (0.65) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL31116491 0.83 MAPT (0.50) PDK1PDK2PDK3PDK4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 — — US claimed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 — — EP claimed
CN-118541378-A Novel auristatin analogues and immunoconjugates thereof 艾德森特克斯治疗股份有限公司 2024-08-23 — — CN disclosed
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 — — US disclosed
EP-2751095-B1 NOVEL BENZODIAZEPINONES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR FUNCTIONS AND NEUROLOGICAL USES THEREOF SANFORD BURNHAM MED RES INST (US) 2021-10-27 — — EP disclosed
CN-109563033-A Aliphatic Prolinamide derivatives 奥瑞恩眼科有限责任公司 2019-04-02 — — CN disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 — — US disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 — — US disclosed
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 — — US disclosed
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 — — US disclosed
US-9193710-B2 Benzodiazepinones as modulators of metabotropic glutamate receptor functions and neurological uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-11-24 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 — — WO disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 — — EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 — — EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 — — US disclosed
JP-2002088048-A METHOD FOR PRODUCING N-T-BUTOXYCARBONYLNITROANLINE DERIVATIVE SUMITOMO CHEM CO LTD 2002-03-27 — — JP disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 — — US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 — — EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 — — WO disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 — — 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 (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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 PDK1 872/4885PDK2 249/4885PDK3 671/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 PDK1 3132/4885PDK2 1200/4885PDK3 2202/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 PDK1 872/4885PDK2 249/4885PDK3 671/4885

“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.