Sugi Predict

Sugi Predict / Compounds / SCHEMBL1612968

SCHEMBL1612968

SCHEMBL1612968

O=[N+]([O-])c1ccccc1OB(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ESR2 Q92731 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL17364020 1.00 ALDH1A1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL28424118 0.90 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL28077500 0.82 TDP1 (0.58) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL28779003 0.82 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL30955518 0.79 HSPB1 (0.50) ALDH1A1TDP1RAB9AHTTL3MBTL1
SCHEMBL31442317 0.79 CRHBP (0.49) ALDH1A1TDP1
SCHEMBL31442363 0.79 CRHBP (0.53) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL7922499 0.78 ALDH1A1 (0.64) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL39472 0.77 HPGD (0.78) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL28056476 0.75 L3MBTL1 (0.81) ALDH1A1TDP1RAB9ANPC1RECQL

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
WO-2024260416-A1 ORGANIC COMPOUND, PREPARATION METHOD THEREFOR, AND ELECTRONIC DEVICE TCL科技集团股份有限公司 2024-12-26 — — WO claimed
CN-105985301-A Preparation method of vortioxetine hydrobromide 山东康美乐医药科技有限公司 2016-10-05 — — CN claimed
CN-119730582-A Photoelectric device, preparation method thereof and display device TCL科技集团股份有限公司 2025-03-28 — — CN disclosed
CN-119613431-A Oxazolobenzo carbazole compound organic electroluminescent device and display device 阜阳欣奕华新材料科技股份有限公司 2025-03-14 — — CN disclosed
WO-2024260416-A1 ORGANIC COMPOUND, PREPARATION METHOD THEREFOR, AND ELECTRONIC DEVICE TCL科技集团股份有限公司 2024-12-26 — — WO disclosed
CN-119176817-A Organic compound, preparation method thereof and electronic device TCL科技集团股份有限公司 2024-12-24 — — CN disclosed
CN-118994219-A Polycyclic compound and organic electroluminescent device thereof 中国科学技术大学 2024-11-22 — — CN disclosed
CN-118336009-A Phenylboronic acid-based additive and electrolyte for lithium/carbon fluoride primary battery 上海大学 2024-07-12 — — CN disclosed
CN-115504999-B Polycyclic compound and organic electroluminescent device thereof 中国科学技术大学 2024-07-09 — — CN disclosed
CN-114656467-B Organic compounds, mixtures, compositions and organic electronic devices 广州华睿光电材料有限公司 2024-06-25 — — CN disclosed
CN-118146790-A Composition for photoelectric device, organic photoelectric device and display device 三星SDI株式会社 2024-06-07 — — CN disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
CN-100491323-C Biaryloxymethylarenecarboxylic acids compound HOFFMANN LA ROCHE (CH) 2009-05-27 — — CN disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
WO-2008069609-A1 PYRIMIDINONE DERIVATIVES OR PYRIDAZINONE DERIVATIVES FOR INHIBITION OF FACTOR VIIA ACTIVITY LEGOCHEM BIOSCIENCE LTD. (KR) 2008-06-12 — — WO disclosed
US-20070202358-A1 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2007-08-30 — — US disclosed
CN-1812956-A Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN LA ROCHE (CH) 2006-08-02 — — CN disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 — — US disclosed
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 — — 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALDH1A1 971/4885TDP1 170/4885RAB9A 1822/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALDH1A1 971/4885TDP1 170/4885RAB9A 1822/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ALDH1A1 971/4885TDP1 170/4885RAB9A 1822/4885
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP ALDH1A1 176/4885TDP1 895/4885RAB9A 3777/4885

“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.