Sugi Predict

Sugi Predict / Compounds / SCHEMBL1164645

SCHEMBL1164645

SCHEMBL1164645

C(=NNc1ccc2ccccc2n1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 3/20 1.00
▸ KDM4E B2RXH2 14/20 0.58
▸ MAPT P10636 12/20 0.58
▸ NPC1 O15118 12/20 0.58
▸ SMN1; SMN2 Q16637 12/20 0.58
▸ RAB9A P51151 12/20 0.58
▸ KMT2A Q03164 11/20 0.58
▸ HTT P42858 11/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ TP53 P04637 3/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ NFKB2 Q00653 2/20 0.58
▸ RELA Q04206 2/20 0.58
▸ GAA P10253 8/20 0.58
▸ NPSR1 Q6W5P4 5/20 0.58
▸ POLB P06746 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ XBP1 P17861 1/20 0.58
▸ TDP1 Q9NUW8 5/20 0.56
▸ PKM P14618 4/20 0.56

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
SCHEMBL29692738 1.00 PAX8 (1.00) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL1164644 1.00 PAX8 (1.00) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL4929465 0.84 PAX8 (0.73) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL28952987 0.83 PAX8 (0.70) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL4927052 0.82 PAX8 (0.70) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL1547192 0.81 PAX8 (0.67) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL12706326 0.81 PAX8 (0.67) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL2682159 0.80 PAX8 (0.67) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL19456444 0.80 PAX8 (0.66) PAX8KDM4EMAPTNPC1SMN1; SMN2
SCHEMBL31307154 0.80 PAX8 (0.66) PAX8KDM4EMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053977-A1 Medicinal uses of hydrazones ALMSTEAD JI-IN KIM (US) 2004-03-18 — — US claimed
US-20030092716-A1 Medicinal uses of hydrazones THE PROCTER & GAMBLE COMPANY 2003-05-15 — — US claimed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 — — EP claimed
WO-1988008842-A2 SUBSTITUTED 2-ACYLPYRIDIN-alpha-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1988-11-17 — — WO claimed
CN-103751943-B Fire extinguishing composition containing nitrogen-containing organic compound 湖北及安盾消防科技有限公司 2020-10-13 — — CN disclosed
WO-2018091598-A2 TREATMENT OF NEURODEGENERATIVE DISEASES ICM (INSTITUT DU CERVEAU ET DE LA MOELLE ÉPINIÈRE) (FR) 2018-05-24 — — WO disclosed
US-9512066-B2 Enhancers of protein degradation MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2016-12-06 — — US disclosed
CN-106117250-A Copper complex 合肥祥晨化工有限公司 2016-11-16 — — CN disclosed
US-20140171635-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK BIOSCIENCES, INC. (US) 2014-06-19 — — US disclosed
US-8541555-B2 Hydrazone-based and oxime-based fluorescent and chromophoric/pro-fluorescent and pro-chromophoric reagents and linkers SOLULINK BIOSCIENCES, INC. (US) 2013-09-24 — — US disclosed
US-20120282629-A1 Enhancers of Protein Degradation MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2012-11-08 — — US disclosed
EP-2488485-A1 ENHANCERS OF PROTEIN DEGRADATION Max-Delbrück-Centrum für Molekulare Medizin (DE) 2012-08-22 — — EP disclosed
US-6660737-B2 Antihypoxic agents THE PROCTER & GAMBLE COMPANY 2003-12-09 — — US disclosed
US-20030092716-A1 Medicinal uses of hydrazones THE PROCTER & GAMBLE COMPANY 2003-05-15 — — US disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 — — US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 — — US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 — — EP disclosed
US-4292399-A Cobalt (III) complex imaging compositions having improved photographic properties EASTMAN KODAK COMPANY (US) 1981-09-29 — — 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 (3 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-20120282629-A1 Enhancers of Protein Degradation HTT, HYPK, TFEB PAX8 2897/4885KDM4E 775/4885MAPT 149/4885
US-20040053977-A1 Medicinal uses of hydrazones PGF, VEGFA, TEK PAX8 1430/4885KDM4E 4483/4885MAPT 4168/4885
US-20030092716-A1 Medicinal uses of hydrazones EPOR, VEGFA, HIF1A PAX8 1051/4885KDM4E 4428/4885MAPT 4120/4885

“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.