Sugi Predict

Sugi Predict / Compounds / SCHEMBL3602545

SCHEMBL3602545

SCHEMBL3602545

CN(C)c1ccc2cc(C(=O)O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ DAO P14920 1/20 0.54
▸ SRD5A2 P31213 1/20 0.54
▸ PIN1 Q13526 1/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ SMAD3 P84022 1/20 0.47
▸ CFTR P13569 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL30180701 1.00 EIF4A3 (0.58) EIF4A3KDM4EHSD17B10HPGDMAPT
SCHEMBL1476670 0.87 PIN1 (0.63) EIF4A3KDM4EHSD17B10HPGDMAPT
SCHEMBL17324784 0.87 CFTR (0.47) EIF4A3KDM4EHSD17B10HPGDMAPT
SCHEMBL8985790 0.83 XDH (0.47) EIF4A3KDM4EHPGDMAPTCFTR
SCHEMBL17321381 0.83 CFTR (0.47) EIF4A3KDM4ECFTRLMNAHDAC3
SCHEMBL28225483 0.81 EIF4A3 (0.49) EIF4A3KDM4EHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL28226226 0.80 EIF4A3 (0.48) EIF4A3KDM4EHSD17B10HPGDMAPT
SCHEMBL31273615 0.80 SLC16A3 (0.54) KDM4EHSD17B10HPGDDAOALDH1A1
SCHEMBL1144688 0.77 PIN1 (0.74) EIF4A3KDM4EHSD17B10HPGDMAPT
SCHEMBL31017884 0.77 PIN1 (0.74) EIF4A3KDM4EHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR OCEAN UNIVERSITY OF CHINA (CN) 2024-10-03 — — US disclosed
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 — — US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP disclosed
CN-115703736-A Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof 中国海洋大学 2023-02-17 — — CN disclosed
WO-2023011416-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR 中国海洋大学 2023-02-09 — — WO disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US disclosed
EP-3820867-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS Fondazione Istituto Italiano di Tecnologia (IT) 2021-05-19 — — EP disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 — — WO disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 — — US disclosed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 — — US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 — — WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 — — US disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 — — US disclosed
EP-0507861-B1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS UPJOHN CO (US) 1996-09-11 — — EP disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 — — US disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 — — EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 — — 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 (5 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 EIF4A3 1928/4885KDM4E 2535/4885HSD17B10 1760/4885
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT EIF4A3 2625/4885KDM4E 963/4885HSD17B10 2072/4885
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 EIF4A3 794/4885KDM4E 4692/4885HSD17B10 1291/4885
US-20240327418-A1 MULTI-TARGET INHIBITOR TARGETING HDAC AND NAD SYNTHESIS AND USE OF MULTI-TARGET INHIBITOR HDAC3, HDAC1, HDAC11 EIF4A3 4319/4885KDM4E 448/4885HSD17B10 178/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 EIF4A3 794/4885KDM4E 4692/4885HSD17B10 1291/4885

“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.