Sugi Predict

Sugi Predict / Compounds / SCHEMBL456940

SCHEMBL456940

SCHEMBL456940

N=C(NCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.54
▸ IDO1 P14902 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ ALOX12 P18054 3/20 0.54
▸ HPGD P15428 1/20 0.54
▸ GAA P10253 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ MITF O75030 1/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ LMNA P02545 1/20 0.47

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
SCHEMBL13437650 0.87 L3MBTL1 (0.54) THRBIDO1ALDH1A1ALOX12HPGD
SCHEMBL7988497 0.87 ALOX12 (0.46) THRBIDO1ALDH1A1ALOX12HPGD
SCHEMBL10789267 0.82 NPC1 (0.58) ALDH1A1ALOX12HPGDMAPTPOLB
SCHEMBL28843558 0.82 NPC1 (0.52) ALDH1A1ALOX12HPGDGAAKMT2A
SCHEMBL4989767 0.82 LMNA (0.60) KMT2AMEN1HDAC6HDAC8LMNA
SCHEMBL11116941 0.81 TP53 (0.70) ALDH1A1KMT2ATP53MITFHDAC6
Hydrochloric Acid SCHEMBL4741314 0.81 NPC1 (0.57) ALDH1A1ALOX12HPGDKMT2AMAPT
SCHEMBL13094259 0.81 MEN1 (0.56) ALDH1A1ALOX12GAAKMT2AMAPT
SCHEMBL17760492 0.80 HDAC2 (0.43) THRBIDO1ALDH1A1ALOX12HPGD
SCHEMBL1273847 0.79 ALDH1A1 (0.60) THRBIDO1ALDH1A1ALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3418272-B1 TRIAZINE COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2023-08-30 — — EP disclosed
CN-115093372-B Synthesis method of imidazole derivative 安徽工程大学 2023-05-30 — — CN disclosed
CN-110372633-B Method for catalyzing reduction of iminodibenzyl carbonyl derivative 台州学院 2022-11-04 — — CN disclosed
CN-115093372-A Synthesis method of imidazole derivative 安徽工程大学 2022-09-23 — — CN disclosed
CN-110372633-A A method of the carbon-based derivative reduction of catalysis iminodibenzyl 台州学院 2019-10-25 — — CN disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 — — US disclosed
US-20180203175-A1 TRIAZOLE COMPOUND Konica Minolta, Inc. (JP) 2018-07-19 — — US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 — — US disclosed
US-10012777-B2 Resin composition Konica Minolta, Inc. (JP) 2018-07-03 — — US disclosed
WO-2017105041-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-22 — — WO disclosed
EP-2475654-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. du Pont de Nemours and Company (US) 2012-07-18 — — EP disclosed
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES FMC CORPORATION 2012-06-14 — — US disclosed
WO-2012033548-A2 HERBICIDAL BIS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 — — WO disclosed
WO-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 — — WO disclosed
US-20080214871-A1 Method For Producing A Xylylene Diamine BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
US-20080214871-A1 Method For Producing A Xylylene Diamine BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 — — WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 — — US disclosed
US-20080154061-A1 Method For Producing a Xylylenediamine BASF AKTIENGESELLSCHAFT (DE) 2008-06-26 — — US disclosed
US-20080154061-A1 Method For Producing a Xylylenediamine BASF AKTIENGESELLSCHAFT (DE) 2008-06-26 — — 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 (6 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 THRB 1892/4885IDO1 135/4885ALDH1A1 513/4885
US-20120149573-A1 HERBICIDAL BUS-NITROGEN-CONTAINING OXO AND SULFONO HETEROCYCLES CBR3, CYP1B1, CBR1 THRB 1049/4885IDO1 726/4885ALDH1A1 1886/4885
US-10012777-B2 Resin composition NBAS, WDR5, HRH3 THRB 3805/4885IDO1 338/4885ALDH1A1 3484/4885
US-20180203175-A1 TRIAZOLE COMPOUND H1-10, TTI2, H1-2 THRB 1319/4885IDO1 318/4885ALDH1A1 1274/4885
US-20080154061-A1 Method For Producing a Xylylenediamine NPM1, DCXR, PNN THRB 4759/4885IDO1 303/4885ALDH1A1 4225/4885
US-20080214871-A1 Method For Producing A Xylylene Diamine XDH, DCXR, CPNE4 THRB 4025/4885IDO1 1083/4885ALDH1A1 2325/4885

“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.