SCHEMBL6809251

SCHEMBL6809251

CC(C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
CYP19A1 P11511 2/20 0.55
ALDH1A1 P00352 4/20 0.53
HSPB1 P04792 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
GPR35 Q9HC97 1/20 0.49
HIF1A Q16665 1/20 0.49
TTR P02766 3/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 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
SCHEMBL29749825 1.00 PDK1 (0.58) PDK1CYP19A1ALDH1A1HSPB1MEN1
SCHEMBL6575768 0.87 ALDH1A1 (0.50) PDK1ALDH1A1HSPB1MEN1KMT2A
SCHEMBL9501627 0.87 ALDH1A1 (0.50) PDK1ALDH1A1HSPB1MEN1KMT2A
SCHEMBL9638881 0.87 ALDH1A1 (0.50) PDK1ALDH1A1HSPB1MEN1KMT2A
SCHEMBL11835883 0.86 CYP19A1 (0.61) PDK1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL11583868 0.84 XDH (0.49) PDK1CYP19A1ALDH1A1HSPB1MEN1
SCHEMBL3586660 0.83 TTR (0.55) PDK1ALDH1A1HSPB1MEN1KMT2A
SCHEMBL7824974 0.83 TTR (0.55) PDK1ALDH1A1HSPB1MEN1KMT2A
SCHEMBL11440349 0.83 ALDH1A1 (0.56) PDK1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL8798263 0.83 PDK1 (0.58) PDK1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354306-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US claimed
US-20160207873-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME YALE UNIVERSITY (US) 2016-07-21 US claimed
WO-2015031598-A2 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME YALE UNIVERSITY (US) 2015-03-05 WO claimed
US-20040133046-A1 Continuous process for preparing alkoxynitroarenes ORBITAL ATK, INC. 2004-07-08 US claimed
US-12168639-B2 Therapeutic DNP derivatives and methods using same YALE UNIVERSITY (US) 2024-12-17 US disclosed
US-20240018089-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME UNIV YALE (US) 2024-01-18 US disclosed
US-20240018089-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME UNIV YALE (US) 2024-01-18 US disclosed
US-20240018089-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME UNIV YALE (US) 2024-01-18 US disclosed
US-11597697-B2 Therapeutic DNP derivatives and methods using same YALE UNIVERSITY (US) 2023-03-07 US disclosed
US-11472764-B2 Therapeutic DNP derivatives and methods using same YALE UNIVERSITY (US) 2022-10-18 US disclosed
US-20220234989-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME UNIV YALE (US) 2022-07-28 US disclosed
US-20200354306-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US disclosed
WO-2015031598-A2 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME YALE UNIVERSITY (US) 2015-03-05 WO disclosed
WO-2015031598-A2 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME YALE UNIVERSITY (US) 2015-03-05 WO disclosed
US-20040133046-A1 Continuous process for preparing alkoxynitroarenes ORBITAL ATK, INC. 2004-07-08 US disclosed
US-20040133046-A1 Continuous process for preparing alkoxynitroarenes ORBITAL ATK, INC. 2004-07-08 US disclosed
EP-1097918-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED-2-NITRO-FLUOROBENZENES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-09 EP disclosed
EP-0328968-B1 PROCESS FOR THE PREPARATION OF 4-ACYLAMINO-2-AMINO ALKOXY BENZENES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-12 EP disclosed
US-5047586-A Process for the preparation of 4-acylamino-2-aminoalkoxybenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0328968-A2 Process for the preparation of 4-acylamino-2-amino alkoxy benzenes HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 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 (8 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-20240018089-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME DNPEP, NQO1, DNPH1 PDK1 145/4885CYP19A1 619/4885ALDH1A1 831/4885
US-11472764-B2 Therapeutic DNP derivatives and methods using same DNPEP, NQO1, DNPH1 PDK1 145/4885CYP19A1 619/4885ALDH1A1 831/4885
US-20160207873-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME DNPEP, NPPA, DNPH1 PDK1 130/4885CYP19A1 446/4885ALDH1A1 524/4885
US-12168639-B2 Therapeutic DNP derivatives and methods using same DNPEP, NQO1, DNPH1 PDK1 145/4885CYP19A1 619/4885ALDH1A1 831/4885
US-11597697-B2 Therapeutic DNP derivatives and methods using same DNPEP, NQO1, DNPH1 PDK1 145/4885CYP19A1 619/4885ALDH1A1 831/4885
US-20200354306-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME DNPEP, NQO1, DNPH1 PDK1 145/4885CYP19A1 619/4885ALDH1A1 831/4885
US-20040133046-A1 Continuous process for preparing alkoxynitroarenes POLN, NCLN, NCL PDK1 3624/4885CYP19A1 1594/4885ALDH1A1 525/4885
US-20220234989-A1 THERAPEUTIC DNP DERIVATIVES AND METHODS USING SAME DNPEP, NQO1, DNPH1 PDK1 145/4885CYP19A1 619/4885ALDH1A1 831/4885

“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.