SCHEMBL1645387

SCHEMBL1645387

CC(C)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 5/20 0.58
CYP3A4 P08684 3/20 0.58
TSHR P16473 4/20 0.56
HTT P42858 1/20 0.53
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4563789 0.90 GAA (0.60) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL433268 0.87 CYP3A4 (0.59) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL1645875 0.86 VCAM1 (0.48) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL6244176 0.85 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL11526155 0.84 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL10767584 0.82 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL10438569 0.82 TDP1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL27527075 0.82 TDP1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL27527076 0.82 TDP1 (0.51) ALDH1A1TDP1CYP3A4TSHRHTT
SCHEMBL12929973 0.81 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247515-A Polyimide containing Trringer's Base element and gas separation membrane and method prepared by polyimide 西北工业大学 2023-12-19 CN claimed
CN-116854913-A Preparation method of high-impact-resistance bismaleimide resin 西北工业大学 2023-10-10 CN claimed
EP-0292911-A2 Process for the preparation of pure nitro-aminobenzene-compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP claimed
CN-117247515-A Polyimide containing Trringer's Base element and gas separation membrane and method prepared by polyimide 西北工业大学 2023-12-19 CN disclosed
CN-116854913-A Preparation method of high-impact-resistance bismaleimide resin 西北工业大学 2023-10-10 CN disclosed
CN-116375760-A Diamine containing DDSQ element and polyimide gas separation membrane prepared from diamine and method 西北工业大学 2023-07-04 CN disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
CN-102105170-A Antifungal combination therapy F2G LTD 2011-06-22 CN disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-5387295-A Cellulose, nitroglycerin, hydroxy-terminated prepolymer, isocyanate cross-linking agent; storage stability HERCULES INCORPORATED (US) 1995-02-07 US disclosed
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US disclosed
EP-0292911-A2 Process for the preparation of pure nitro-aminobenzene-compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 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 (2 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885TDP1 3939/4885CYP3A4 199/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 ALDH1A1 2813/4885TDP1 2131/4885CYP3A4 115/4885

“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.