Sugi Predict

Sugi Predict / Compounds / SCHEMBL6505837

SCHEMBL6505837

SCHEMBL6505837

C=CCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CASP3 P42574 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL997571 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL8072364 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL29545568 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL793609 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL606389 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL30601900 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL31036100 0.98 TDP1 (0.58) TDP1L3MBTL1CASP3HDAC8HDAC3
SCHEMBL571198 0.95 CASP3 (0.54) TDP1L3MBTL1CASP3MAPTRAB9A
SCHEMBL29419302 0.87 CASP3 (0.58) TDP1L3MBTL1CASP3MAPTRAB9A
SCHEMBL369820 0.87 CASP3 (0.58) TDP1L3MBTL1CASP3MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103259-B1 4-QUINOLINE DERIVATIVES AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-02-26 — — EP claimed
EP-0103259-A1 4-Quinoline derivatives and their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 — — EP claimed
CN-109794292-B Z-selective ruthenium carbene olefin metathesis catalyst, and preparation method and application thereof 天津大学 2021-12-07 — — CN disclosed
CN-108659049-B Z-selective ruthenium olefin metathesis catalyst, preparation method and application 天津大学 2020-09-01 — — CN disclosed
CN-111039978-A β -hydroxyimino diphosphonic acid derivative and preparation method thereof 江苏强盛功能化学股份有限公司 2020-04-21 — — CN disclosed
CN-110964058-A β -hydroxyiminohydroxyphosphinyl derivatives and preparation method thereof 江苏强盛功能化学股份有限公司 2020-04-07 — — CN disclosed
CN-110964059-A β -amino hydroxyl phosphonic derivative and preparation method thereof 江苏强盛功能化学股份有限公司 2020-04-07 — — CN disclosed
CN-110950906-A β -amino phosphoric acid derivative and preparation method thereof 江苏强盛功能化学股份有限公司 2020-04-03 — — CN disclosed
CN-110950907-A β -phosphoryl oxime free radical compound and preparation method thereof 江苏强盛功能化学股份有限公司 2020-04-03 — — CN disclosed
EP-3008078-B1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-12-19 — — EP disclosed
US-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH 2018-05-10 — — US disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
US-4795828-A Functionalized intermediate for the synthesis of alpha-functionalized derivatives and labeled conjugates of procaimamide and NAPA MILES INC. (US) 1989-01-03 — — US disclosed
US-4673763-A IMMUNOASSAY MILES LABORATORIES, INC. (US) 1987-06-16 — — US disclosed
EP-0103259-B1 4-QUINOLINE DERIVATIVES AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-02-26 — — EP disclosed
US-4544748-A Intermediates for mefloquin HOFFMANN-LA ROCHE INC. (US) 1985-10-01 — — US disclosed
US-4544748-A Intermediates for mefloquin HOFFMANN-LA ROCHE INC. (US) 1985-10-01 — — US disclosed
EP-0113102-A2 Procainamide and napa immunogens, antibodies labeled conjugates, and related derivatives MILES LABORATORIES, INC. (US) 1984-07-11 — — EP disclosed
EP-0103259-A1 4-Quinoline derivatives and their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 — — EP disclosed
EP-0103259-A1 4-Quinoline derivatives and their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-03-21 — — 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 (1 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-20180127447-A1 METATHESIS CATALYSTS AND METHODS THEREOF INF2, AFF2, KRAS TDP1 2403/4885L3MBTL1 1709/4885CASP3 1299/4885

“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.