SCHEMBL250527

SCHEMBL250527

NC(=O)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.72
▸ PDPK1 O15530 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ TSHR P16473 1/20 0.72
▸ NFKB1 P19838 1/20 0.72
▸ APEX1 P27695 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ TDP1 Q9NUW8 1/20 0.72
▸ FLT3 P36888 6/20 0.64
▸ MLLT1 Q03111 1/20 0.55
▸ HRH4 Q9H3N8 1/20 0.55
▸ DAO P14920 1/20 0.53
▸ ATM Q13315 1/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL28208771 0.87 KDM4E (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL29540178 0.86 FLT3 (0.59) KDM4EPDPK1ALDH1A1LMNAHPGD
5-Fluoroindole-2-Carboxylic Acid SCHEMBL209759 0.84 KDM4E (1.00) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL213471 0.82 KDM4E (0.72) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL17674220 0.82 KDM4E (0.62) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL2730226 0.82 KDM4E (0.72) KDM4EPDPK1ALDH1A1LMNAHPGD
5-Fluoroindole-2-Carboxylic Acid SCHEMBL213473 0.82 KDM4E (0.96) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL25633255 0.81 KDM4E (0.66) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL3608666 0.80 HRH4 (0.56) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL3282981 0.80 FLT3 (0.73) FLT3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN claimed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 — — US claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 — — EP claimed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 — — US claimed
CN-111171040-A Dihydrofuropyran/pyridoindole derivatives and synthesis method thereof 常州大学 2020-05-19 — — CN claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
US-7129225-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-10-31 — — US claimed
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 — — US disclosed
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-11-26 — — US disclosed
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 — — CN disclosed
CN-113015726-B Ketone amide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-03-08 — — CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 — — EP disclosed
CN-113197895-B Pharmaceutical application of ketoamide compound 中国科学院上海药物研究所 2023-06-20 — — CN disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 — — EP disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 — — US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 — — US disclosed
EP-1339713-A2 SAFRAMYCINS, ANALOGUES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2003-09-03 — — EP disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 — — WO disclosed
US-20030008873-A1 Saframycins, analogues and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 — — US disclosed
WO-2002040477-A2 SAFRAMYCINS, ANALOGUES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-05-23 — — 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 (7 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-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF ACE, REN, ACE2 KDM4E 853/4885PDPK1 2642/4885ALDH1A1 1463/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS KDM4E 822/4885PDPK1 2476/4885ALDH1A1 2113/4885
US-20030008873-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A KDM4E 3710/4885PDPK1 4190/4885ALDH1A1 977/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 KDM4E 2603/4885PDPK1 2283/4885ALDH1A1 2142/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS KDM4E 1972/4885PDPK1 1627/4885ALDH1A1 2589/4885
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof ACE, REN, ACE2 KDM4E 853/4885PDPK1 2642/4885ALDH1A1 1463/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 KDM4E 1359/4885PDPK1 107/4885ALDH1A1 4555/4885

“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.

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