SCHEMBL457598

SCHEMBL457598

O=c1cc2[nH]cc3ccccc3c-2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
CTSV O60911 4/20 0.39
CTSL P07711 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
TUBB4A P04350 1/20 0.39
TP53 P04637 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TUBA1A Q71U36 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL7820822 0.83 ALDH1A1 (0.39) KDM4EHPGDLMNAHSD17B10PARP1
SCHEMBL378547 0.76 DNMT1 (0.38) KDM4ELMNAHSD17B10PAX8PARP1
Hydrochloric Acid SCHEMBL28299257 0.75 DNMT1 (0.37) KDM4ELMNAHSD17B10PAX8PARP1
Hydrochloric Acid SCHEMBL6554454 0.75 DNMT1 (0.37) KDM4ELMNAHSD17B10PAX8PARP1
SCHEMBL11568940 0.73 S100A4 (0.33) KDM4EHPGDHSD17B10PARP1ALDH1A1
SCHEMBL1478085 0.72 PARP1 (0.36) HSD17B10PAX8PARP1ALDH1A1CES1
SCHEMBL5140067 0.71 CES1 (0.38) KDM4EHPGDLMNAHSD17B10PAX8
SCHEMBL6170258 0.69 ALDH1A1 (0.34) HPGDHSD17B10PARP1ALDH1A1ADORA2A
SCHEMBL11773632 0.69 ALOX5 (0.38) KDM4EHPGDHSD17B10PARP1ALDH1A1
SCHEMBL1069945 0.69 PARP1 (0.34) PARP1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082761-B Phenanthridinone or benzophenanthridinone derivative and synthesis method thereof 上海大学 2020-04-03 CN claimed
US-20250325600-A1 Destroying Cancerous Cells Using Directed Bacteria POSTREL RICHARD (US) 2025-10-23 US disclosed
US-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) SHENZHEN XUHUA BIOTECH CO. LTD. (CN) 2023-07-13 US disclosed
WO-2023081775-A1 COMBINATION INHIBITORS FOR TREATING FIBROSIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2023-05-11 WO disclosed
CN-114555189-A Xanthophyllone derivatives as inhibitors of topoisomerase IB (TOP1) and/or tyrosyl-DNA phosphodiesterase 1(TDP1) 美国政府健康及人类服务部 2022-05-27 CN disclosed
US-20210317115-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 UNIV CORNELL (US) 2021-10-14 US disclosed
US-20210238633-A1 System and Method for the Universal Destruction of Cancer Cells without Toxicity POSTREL RICHARD (US) 2021-08-05 US disclosed
US-11046945-B2 Labeled glutaminase proteins, isolated glutaminase protein mutants, methods of use, and kit CORNELL UNIVERSITY (US) 2021-06-29 US disclosed
EP-3826717-A2 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND/OR TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2021-06-02 EP disclosed
US-10987317-B2 Inhibition of glutaminase C CORNELL UNIVERSITY (US) 2021-04-27 US disclosed
US-20160002619-A1 LABELED GLUTAMINASE PROTEINS, ISOLATED GLUTAMINASE PROTEIN MUTANTS, METHODS OF USE, AND KIT CORNELL UNIVERSITY 2016-01-07 US disclosed
WO-2014134329-A1 LABELED GLUTAMINASE PROTEINS, ISOLATED GLUTAMINASE PROTEIN MUTANTS, METHODS OF USE, AND KIT CORNELL UNIVERSITY (US) 2014-09-04 WO disclosed
US-20130252983-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C CORNELL UNIVERSITY (US) 2013-09-26 US disclosed
US-20120220610-A1 INHIBITIONS OF GLUTAMINASE C CORNELL UNIVERSITY (US) 2012-08-30 US disclosed
WO-2012034123-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C CORNELL UNIVERSITY (US) 2012-03-15 WO disclosed
WO-2010111504-A2 INHIBITION OF GLUTAMINASE C CORNELL UNIVERSITY (US) 2010-09-30 WO disclosed
US-5395615-A Free amine benzophenanthridine alkaloid compositions VIPONT PHARMACEUTICAL, INC. (US) 1995-03-07 US disclosed
EP-0583389-A1 FREE AMINE BENZOPHENANTHRIDINE ALKALOID COMPOSITIONS VIPONT PHARMACEUTICAL, INC. (US) 1994-02-23 EP disclosed
US-5175000-A Treating bacterial or fungal infections VIPONT PHARMACEUTICAL, INC. (US) 1992-12-29 US disclosed
WO-1992019242-A1 FREE AMINE BENZOPHENANTHRIDINE ALKALOID COMPOSITIONS VIPONT PHARMACEUTICAL, INC. (US) 1992-11-12 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-20130252983-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C GLS, GLUL, GLS2 KDM4E 2854/4885CTSV 2527/4885CTSL 2136/4885
US-20120220610-A1 INHIBITIONS OF GLUTAMINASE C GLS, GLS2, GLUL KDM4E 1683/4885CTSV 722/4885CTSL 714/4885
US-20230219895-A1 OXYNITIDINE DERIVATIVES USEFUL AS INHIBITORS OF TOPOISOMERASE IB (TOP1) AND TYROSYL-DNA PHOSPHODIESTERASE 1 (TDP1) TDP1, TOP1, TOP2A KDM4E 1070/4885CTSV 4597/4885CTSL 4269/4885
US-20210317115-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 GLS, GLS2, GLUL KDM4E 1104/4885CTSV 1266/4885CTSL 1232/4885
US-10987317-B2 Inhibition of glutaminase C GLS, GLS2, GLUL KDM4E 1447/4885CTSV 695/4885CTSL 646/4885

“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.