Sugi Predict

Sugi Predict / Compounds / SCHEMBL2944676

SCHEMBL2944676

SCHEMBL2944676

COc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAPT P10636 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44

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
SCHEMBL29738113 1.00 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL8089043 0.90 ALDH1A1 (0.52) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL3294994 0.90 ALDH1A1 (0.59) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL2911207 0.88 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL31077653 0.88 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL2955974 0.88 ALDH1A1 (0.53) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL6370055 0.87 ALDH1A1 (0.57) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11135612 0.85 ALDH1A1 (0.58) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL10778338 0.85 ALDH1A1 (0.62) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL6370714 0.84 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890999-B Preparation method of PQQ 江苏信佑生物有限公司 2023-10-24 — — CN disclosed
CN-114890999-B Preparation method of PQQ 江苏信佑生物有限公司 2023-10-24 — — CN disclosed
CN-114890999-A Preparation method of PQQ 江苏海洋大学 2022-08-12 — — CN disclosed
CN-114890999-A Preparation method of PQQ 江苏海洋大学 2022-08-12 — — CN disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-9834518-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 — — EP disclosed
EP-3004047-B1 COMPOUNDS OF '3-(5-SUBSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF ANTHEM BIOSCIENCES PVT LTD (IN) 2017-02-22 — — EP disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 — — US disclosed
EP-3004047-A1 COMPOUNDS OF '3-(5-SUSTITUTED OXY-2,4-DINITRO-PHENYL)-2-OXO-PROPIONIC ACID ESTER', PROCESS AND APPLICATIONS THEREOF Anthem Biosciences Pvt Ltd (IN) 2016-04-13 — — EP disclosed
WO-2006002712-A1 INITIAL PHENYLPROPANEDIOL DYE PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-01-12 — — WO disclosed
EP-0601138-B1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AG (DE) 1996-09-18 — — EP disclosed
US-5382702-A Process for the production of 5-alkoxy-2,4-dinitro-alkylbenzenes WELLA AKTIENGESELLSCHAFT (DE) 1995-01-17 — — US disclosed
EP-0601138-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS. WELLA AG (DE) 1994-06-15 — — EP disclosed
WO-1993025512-A1 METHOD OF PREPARING 5-ALKOXY-2,4-DINITROALKYLBENZENE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1993-12-23 — — WO disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 — — US disclosed
EP-0345550-A2 High molecular weight arylene sulphide polymers BAYER AG (DE) 1989-12-13 — — EP disclosed
US-4288638-A Process for the synthesis of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1981-09-08 — — US disclosed
US-4236029-A Process for the synthesis of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1980-11-25 — — US disclosed
US-4233463-A Process for the separation of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette, from the crude synthesis mixtures in which it is present SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1980-11-11 — — 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 (1 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-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 ALDH1A1 1376/4885TDP1 4383/4885MAPT 3866/4885

“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.