SCHEMBL4876610

SCHEMBL4876610

O=C1C=C(N2CCCC2)C(=O)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 4/20 0.74
▸ TDP2 O95551 2/20 0.74
▸ NSD2 O96028 2/20 0.74
▸ HKDC1 Q2TB90 2/20 0.74
▸ DNMT1 P26358 1/20 0.65
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ BLM P54132 2/20 0.56
▸ ATM Q13315 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ GALK1 P51570 1/20 0.56
▸ NOD2 Q9HC29 1/20 0.56
▸ ATG4B Q9Y4P1 1/20 0.56
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ ALOX12 P18054 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
SCHEMBL31290245 1.00 APAF1 (0.74) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL249168 0.98 APAF1 (0.77) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL31290115 0.98 APAF1 (0.77) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL7260223 0.85 APAF1 (1.00) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL247037 0.84 KMT2A (0.79) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL17249923 0.84 DNMT1 (0.64) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL246623 0.84 DNMT1 (0.59) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL14566964 0.81 APAF1 (0.59) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL29203715 0.79 APAF1 (0.62) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL20043023 0.77 CHRNA7 (0.51) APAF1TDP2NSD2HKDC1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324852-A REDOX COUPLES EASTMAN KODAK COMPANY (US) 1982-04-13 — — US claimed
US-4201588-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE EASTMAN KODAK COMPANY (US) 1980-05-06 — — US claimed
US-4195998-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, QUINONE OR CARBAZIDE PHOTOREDUCTANT EASTMAN KODAK COMPANY (US) 1980-04-01 — — US claimed
US-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-04-12 — — US disclosed
US-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-04-12 — — US disclosed
US-8513437-B2 Pyrrolidino-1,4-naphthoquinone deriviatives and their use for treating malignancies and cardiovascular diseases BEN GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IS) 2013-08-20 — — US disclosed
US-20080300274-A1 Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases BEN GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) 2008-12-04 — — US disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 — — US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 — — US disclosed
US-4201588-A NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE EASTMAN KODAK COMPANY (US) 1980-05-06 — — US disclosed
US-4171221-A NONSILVER PHOTOGTAPHY EASTMAN KODAK COMPANY (US) 1979-10-16 — — US 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-20180099917-A1 REVERSIBLY REDUCIBLE MATERIALS AND USE THEREOF NES, CBR3, SQOR APAF1 4670/4885TDP2 4439/4885NSD2 124/4885
US-20080300274-A1 Novel Pyrrolidino-1,4-Naphthoquinone Deriviatives and their Use for Treating Malignancies and Cardiovascular Diseases MAPK1, MAP3K1, MAP3K20 APAF1 1872/4885TDP2 2053/4885NSD2 3596/4885

“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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