SCHEMBL20544661

SCHEMBL20544661

O=C(C(CO)Cc1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 3/20 0.43
▸ CRHR2 Q13324 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ CPA1 P15085 3/20 0.39

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
SCHEMBL22662102 0.87 ALDH1A1 (0.40) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL19963222 0.86 CYP1A2 (0.46) ANPEPERAP2ERAP1CPA1
SCHEMBL21986104 0.84 MME (0.39) ANPEPERAP2ERAP1CPA1
SCHEMBL19963028 0.83 MME (0.42) MEN1KMT2ANPC1RAB9A
SCHEMBL21985995 0.83 POLB (0.39) —
SCHEMBL19963171 0.83 NPC1 (0.38) NPC1RAB9A
SCHEMBL19963024 0.83 ESR1 (0.42) ALDH1A1KMT2ANPC1RAB9AMMP2
SCHEMBL19963129 0.81 LMNA (0.42) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL19963029 0.80 PPARG (0.41) TP53CPA1
SCHEMBL19963038 0.77 ANPEP (0.38) KMT2AANPEPERAP2ERAP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699013-B Spiroquinone derivative, method for preparing the same, and pharmaceutical composition for preventing or treating neurological disorders containing the same as an active ingredient 嘉泉大学校校产学协力团 2022-05-06 — — CN disclosed
US-10836734-B2 Spiroquinone derivative compound, production method thereof, and pharamaceutical composition for preventing or treating neurological disorders which contains same as active ingredient GACHON UNIVERSITY OF INDUSTRY—ACADEMIC COOPERATION FOUNDATION (KR) 2020-11-17 — — US disclosed
EP-3395804-B1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT UNIV GACHON IND ACAD COOP FOUND (KR) 2020-05-13 — — EP disclosed
US-20180327370-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-11-15 — — US disclosed
EP-3395804-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT Gachon University of Industry-Academic Cooperation Foundation (KR) 2018-10-31 — — 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-10836734-B2 Spiroquinone derivative compound, production method thereof, and pharamaceutical composition for preventing or treating neurological disorders which contains same as active ingredient NQO1, SDHA, SDHB CRHBP 3984/4885CRHR2 3922/4885ALDH1A1 648/4885
US-20180327370-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARAMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT NQO1, SDHA, KEAP1 CRHBP 4113/4885CRHR2 3850/4885ALDH1A1 712/4885

“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.

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