SCHEMBL19963171

SCHEMBL19963171

O=C(C(CO)Cc1ccc(Cl)cc1)N(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MME P08473 1/20 0.38
▸ PPARG P37231 7/20 0.37
▸ PPARA Q07869 7/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ PTGIR P43119 1/20 0.37
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL19963222 0.91 CYP1A2 (0.46) MMECYP1A2ACETRPV1
SCHEMBL21986104 0.88 MME (0.39) MMECYP1A2SLC7A5ACETRPV1
SCHEMBL21985995 0.87 POLB (0.39) MMECYP1A2SLC7A5PSMB8PSMB5
SCHEMBL19963028 0.87 MME (0.42) NPC1RAB9AMMECYP1A2SLC7A5
SCHEMBL19963024 0.87 ESR1 (0.42) NPC1RAB9AMMEPPARGPPARA
SCHEMBL22662037 0.85 PPARG (0.42) NPC1RAB9APPARGPPARACYP1A2
SCHEMBL19963029 0.84 PPARG (0.41) MMEPPARGPPARA
SCHEMBL20544661 0.83 CRHBP (0.43) NPC1RAB9A
SCHEMBL19963038 0.81 ANPEP (0.38) CYP1A2
SCHEMBL19963100 0.81 LMNA (0.43) CYP1A2PTGIRTRPV1

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 8 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
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
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
WO-2018048261-A1 NOVEL SPIROQUINONE DERIVATIVE COMPOUND, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROLOGICAL DISORDERS WHICH CONTAINS SAME AS ACTIVE INGREDIENT 가천대학교 산학협력단 2018-03-15 — — 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 (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 NPC1 227/4885RAB9A 1095/4885MME 2721/4885
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 NPC1 114/4885RAB9A 1081/4885MME 2928/4885

“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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