SCHEMBL20544502

SCHEMBL20544502

COCOc1ccc(N(C(=O)CCO)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTGIR P43119 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL19963117 0.80 ALDH1A1 (0.61) KMT2ANPSR1NPC1HTTRAB9A
SCHEMBL19963116 0.76 NPSR1 (0.52) KMT2ANPSR1NPC1HTTRAB9A
SCHEMBL23309720 0.75 LTA4H (0.42) KMT2AHTTALDH1A1MEN1ATM
SCHEMBL21986000 0.72 ALDH1A1 (0.47) KMT2ANPSR1NPC1HTTRAB9A
SCHEMBL10689367 0.71 LTB4R2 (0.54) KMT2APOLBPTGIRMEN1TRPM8
SCHEMBL20544326 0.71 CCNC (0.42) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7513376 0.71 TRPM8 (0.58) KMT2ANPC1HTTRAB9AMEN1
SCHEMBL9292204 0.70 KMT2A (0.57) KMT2ANPSR1NPC1HTTRAB9A
SCHEMBL7661858 0.69 GAA (0.62) KMT2ANPC1HTTRAB9AALDH1A1
SCHEMBL9471594 0.69 TRPM8 (0.52) KMT2ANPSR1NPC1HTTRAB9A

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 KMT2A 2470/4885NPSR1 2632/4885NPC1 227/4885
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 KMT2A 2901/4885NPSR1 2769/4885NPC1 114/4885

“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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