Sugi Predict

Sugi Predict / Compounds / SCHEMBL3033971

SCHEMBL3033971

SCHEMBL3033971

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CSF1R P07333 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHEK1 O14757 4/20 0.41
▸ HTT P42858 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LPL P06858 2/20 0.37
▸ LIPG Q9Y5X9 2/20 0.37
▸ TTR P02766 2/20 0.37

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
SCHEMBL4771663 0.89 ALDH1A1 (0.45) ALDH1A1TDP1LMNACSF1RHTT
SCHEMBL29845809 0.89 ALDH1A1 (0.45) ALDH1A1TDP1LMNACSF1RHTT
SCHEMBL15283473 0.85 PDK1 (0.40) ALDH1A1TDP1LMNACSF1RL3MBTL1
SCHEMBL17411095 0.84 LPL (0.36) ALDH1A1TDP1LMNACSF1RHTT
SCHEMBL18582781 0.83 HTR6 (0.48) ALDH1A1TDP1LMNAL3MBTL1HTT
SCHEMBL26834042 0.83 CYP19A1 (0.36) ALDH1A1LMNACSF1RCA1CA2
SCHEMBL3678053 0.81 MAPT (0.45) ALDH1A1CA1CA2CA9MAPT
SCHEMBL29398685 0.81 MAPT (0.45) ALDH1A1CA1CA2CA9MAPT
SCHEMBL31690752 0.80 DGAT1 (0.47) TDP1L3MBTL1MAPTLPLLIPG
SCHEMBL1284877 0.79 GPR35 (0.51) ALDH1A1TDP1LMNASIRT6CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 — — EP disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 — — US disclosed
WO-2024152743-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2024-07-25 — — WO disclosed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 — — EP disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
WO-2023078413-A1 FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-05-11 — — WO disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 — — US disclosed
US-20160008494-A1 TAU IMAGING PROBE GE HEALTHCARE LIMITED (GB) 2016-01-14 — — US disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 — — EP disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 — — US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 — — US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 — — US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — WO 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-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 ALDH1A1 3055/4885TDP1 1109/4885LMNA 3154/4885
US-20160008494-A1 TAU IMAGING PROBE MAPT, APP, APBA1 ALDH1A1 4124/4885TDP1 2385/4885LMNA 1934/4885
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALDH1A1 238/4885TDP1 2000/4885LMNA 2130/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 2391/4885TDP1 1112/4885LMNA 2735/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ALDH1A1 2527/4885TDP1 412/4885LMNA 922/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885TDP1 1384/4885LMNA 2659/4885

“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.