SCHEMBL19963100

SCHEMBL19963100

O=C(C(CO)Cc1ccccc1)N(c1ccc(O)cc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TBXAS1 P24557 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ PTGIR P43119 1/20 0.38
▸ ECE1 P42892 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PDK1 Q15118 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
SCHEMBL29594467 1.00 LMNA (0.43) LMNAGAATSHRTBXAS1KDM4E
SCHEMBL19963222 0.89 CYP1A2 (0.46) ANPEPERAP2ERAP1CYP1A2TRPV1
SCHEMBL21986104 0.82 MME (0.39) ANPEPERAP2ERAP1CYP1A2TRPV1
SCHEMBL19963024 0.81 ESR1 (0.42) KMT2ATDP1CYP1A2
SCHEMBL21985995 0.81 POLB (0.39) CYP1A2TRPV1
SCHEMBL19963171 0.81 NPC1 (0.38) PTGIRCYP1A2TRPV1
SCHEMBL19963028 0.81 MME (0.42) KMT2ACYP1A2TRPV1
SCHEMBL29594970 0.79 CYP3A4 (0.40) LMNAGAATBXAS1KDM4EHTT
SCHEMBL19963087 0.79 CYP3A4 (0.40) LMNAGAATBXAS1KDM4EHTT
SCHEMBL20544347 0.78 PTGES (0.39) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 656/4885GAA 456/4885TSHR 4553/4885
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 LMNA 465/4885GAA 398/4885TSHR 4513/4885

“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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