Sugi Predict

Sugi Predict / Compounds / SCHEMBL3413974

SCHEMBL3413974

SCHEMBL3413974

COc1ccc(Br)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPT P10636 5/20 0.54
▸ GAA P10253 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TP53 P04637 4/20 0.50
▸ LMNA P02545 4/20 0.49
▸ TSHR P16473 1/20 0.48

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
SCHEMBL17674375 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30101803 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL20869029 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30101796 0.86 AAK1 (0.47) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL31758898 0.86 DDR1 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30101769 0.85 LMNA (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18719605 0.85 KDM4A (0.45) ALDH1A1SMN1; SMN2GAARECQL
SCHEMBL31142972 0.85 AAK1 (0.47) SMN1; SMN2GAARECQLL3MBTL1
SCHEMBL8011978 0.85 AAK1 (0.47) SMN1; SMN2GAARECQLL3MBTL1
SCHEMBL5031794 0.84 PPARD (0.44) ALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US disclosed
WO-2023002011-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-01-26 — — WO disclosed
US-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 — — US disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 — — US disclosed
US-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 — — US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 — — US disclosed
US-8071588-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-06 — — US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 — — US disclosed
US-8067408-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-11-29 — — US disclosed
CN-102137848-A 2,4-diaminopyrimidine compound ASTELLAS PHARMA INC 2011-07-27 — — CN disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 — — CN disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 — — US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 — — US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 — — EP disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 — — US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 — — US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 — — EP disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 — — EP disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 — — EP 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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 ALDH1A1 677/4885KDM4E 3093/4885MEN1 4446/4885
US-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD ALDH1A1 1662/4885KDM4E 2818/4885MEN1 4855/4885
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B ALDH1A1 4679/4885KDM4E 2435/4885MEN1 3855/4885
US-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 ALDH1A1 1736/4885KDM4E 2258/4885MEN1 1531/4885
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 ALDH1A1 844/4885KDM4E 3094/4885MEN1 4091/4885
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR ALDH1A1 1626/4885KDM4E 3724/4885MEN1 3653/4885

“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.