Sugi Predict

Sugi Predict / Compounds / SCHEMBL5952489

SCHEMBL5952489

SCHEMBL5952489

CC(C)(O)C(C)(C)OB(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GPR35 Q9HC97 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12481082 0.86 TDP1 (0.36) NPSR1ALDH1A1HTTTDP1HSD17B10
SCHEMBL17151495 0.86 FBP1 (0.38) NPSR1ALDH1A1HTTTDP1PDK1
SCHEMBL5899432 0.76 TSHR (0.36) ALDH1A1TDP1HSD17B10CA1CA2
SCHEMBL29614987 0.75 HSD17B10 (0.54) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL28117 0.75 HSD17B10 (0.54) ALDH1A1TDP1HSD17B10KMT2AMEN1
Boric Acid SCHEMBL28182913 0.75 ALDH1A1 (0.51) NPSR1ALDH1A1HTTTDP1HSD17B10
SCHEMBL22684752 0.74 ENPP2 (0.33) —
SCHEMBL27880262 0.74 GPR35 (0.42) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL27997501 0.74 GPR35 (0.42) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL17744625 0.74 ALDH1A1 (0.41) ALDH1A1HTTTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 — — CN claimed
CN-110964046-A Synthesis method of 2-nitrophenylboronic acid pinacol ester 蚌埠中实化学技术有限公司 2020-04-07 — — CN claimed
WO-2023239811-A1 SUBSTITUTED BIARYL ENDOCHIN-LIKE QUINOLONES WITH ENHANCED ANTIPARASITIC ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-12-14 — — WO disclosed
WO-2023106362-A1 PRODUCTION METHOD FOR BORONIC ACID COMPOUND 株式会社altFlow 2023-06-15 — — WO disclosed
CN-110964046-B Synthesis method of 2-nitrobenzoic acid pinacol ester 安徽英特美科技有限公司 2023-05-05 — — CN disclosed
CN-115594602-A Visible light induced method for synthesizing aromatic amine 南京大学（CN） 2023-01-13 — — CN disclosed
CN-111290216-B Hard mask composition, hard mask and method for forming pattern 厦门恒坤新材料科技股份有限公司 2022-05-20 — — CN disclosed
CN-111240153-B Hard mask composition, hard mask and method for forming pattern 厦门恒坤新材料科技股份有限公司 2022-05-20 — — CN disclosed
CN-110357832-B Preparation method of aromatic amine compound, EphB4 kinase inhibitor and derivatives thereof 武汉大学 2022-03-15 — — CN disclosed
CN-113960882-A Hard mask composition, preparation method thereof and pattern forming method 厦门恒坤新材料科技股份有限公司 2022-01-21 — — CN disclosed
CN-113960880-A Hard mask composition, preparation method thereof and pattern forming method 厦门恒坤新材料科技股份有限公司 2022-01-21 — — CN disclosed
CN-110964046-A Synthesis method of 2-nitrophenylboronic acid pinacol ester 蚌埠中实化学技术有限公司 2020-04-07 — — CN disclosed
US-20190081249-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD (JP) 2019-03-14 — — US disclosed
EP-3422431-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2019-01-02 — — EP disclosed
US-20160248024-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME SFC CO., LTD. (KR) 2016-08-25 — — US disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 — — US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 — — US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 — — EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 — — US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 — — 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A NPSR1 2891/4885ALDH1A1 317/4885HTT 4095/4885
US-20160248024-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME MAP1LC3C, CRY1, MAP1LC3A NPSR1 4680/4885ALDH1A1 459/4885HTT 797/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 NPSR1 2946/4885ALDH1A1 198/4885HTT 4113/4885

“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.