SCHEMBL3403454

SCHEMBL3403454

CC(C)(C)OC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.60
RAB9A P51151 11/20 0.54
NPC1 O15118 10/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
CA12 O43570 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
SCHEMBL30216106 1.00 KAT6A (0.60) KAT6ARAB9ANPC1MAPTMEN1
SCHEMBL23158879 0.86 KAT6A (0.50) KAT6AALDH1A1GAACA12CA1
SCHEMBL6814983 0.86 NPC1 (0.67) KAT6ARAB9ANPC1MAPTMEN1
SCHEMBL13783466 0.85 NPC1 (0.51) KAT6ARAB9ANPC1MAPTMEN1
SCHEMBL4631164 0.84 GAA (0.52) KAT6ARAB9ANPC1MAPTMEN1
SCHEMBL12599766 0.84 CA12 (0.47) KAT6ARAB9ANPC1MEN1KMT2A
SCHEMBL23484531 0.84 CA12 (0.47) KAT6ARAB9ANPC1MAPTMEN1
SCHEMBL22804523 0.84 CA12 (0.47) KAT6ARAB9ANPC1MAPTKDM4E
SCHEMBL20932800 0.84 MEN1 (0.47) KAT6ARAB9ANPC1MAPTMEN1
SCHEMBL4672586 0.84 NPC1 (0.50) KAT6ARAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020820-B Preparation method of 6-bromo-2-aminonaphthalene 杭州惠诺医药科技有限公司 2021-06-25 CN claimed
WO-2025051157-A1 PYRIDINE-2(1H)-KETONE PRMT5-MTA INHIBITOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2025-03-13 WO disclosed
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
CN-115043788-A Trifluoromethyl oxazole-2-ketone compound and preparation method and application thereof 南京工业大学 2022-09-13 CN disclosed
CN-109020820-B Preparation method of 6-bromo-2-aminonaphthalene 杭州惠诺医药科技有限公司 2021-06-25 CN disclosed
CN-106083855-B Purine derivatives useful as Hsp90 inhibitors 斯隆-凯特林癌症研究院 2020-04-10 CN disclosed
WO-2019184089-A1 COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳翰宇药业股份有限公司 2019-10-03 WO disclosed
EP-3091019-B1 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-04-03 EP disclosed
US-10172863-B2 Purine derivatives useful as HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-01-08 US disclosed
EP-3091019-A2 PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS Sloan Kettering Institute For Cancer Research (US) 2016-11-09 EP disclosed
US-7718688-B2 Nitrobenzindoles and their use in cancer therapy AUCKLAND UNISERVICES LIMITED (NZ) 2010-05-18 US disclosed
WO-2010027280-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-03-11 WO disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 WO disclosed
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 EP disclosed
US-20090182001-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
WO-2009064908-A1 CBI DERIVATIVES SUBJECT TO REDUCTIVE ACTIVATION THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-22 WO disclosed
WO-2009064913-A1 CHIMER CONTAINING A TARGETING PORTION LINKED TO A SCISSION-ACTIVATED DUOCARMYCIN-TYPE PRODRUG THE SCRIPPS RESEARCH INSTITUTE (US) 2009-05-22 WO disclosed
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization AUCKLAND UNISERVICES LIMITED (NZ) 2008-05-22 US disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 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 (3 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-10172863-B2 Purine derivatives useful as HSP90 inhibitors XDH, HSP90B1, HSP90AA1 KAT6A 3938/4885RAB9A 2768/4885NPC1 2300/4885
US-20080119442-A1 as hypoxia-selective drugs and radiosensitizers for cancer therapy; nitroreductase inhibitor; 1-(Chloromethyl)-5,6-dinitro-3-(5,6,7-trimethoxyindol-2-carbonyl)-1,2-dihydro-3H-benzo[e]indole; halogenation of naphthalene derivative followed by hydration and cyclization HIF1AN, HYOU1, HIF1A KAT6A 2753/4885RAB9A 4109/4885NPC1 1707/4885
US-20090182001-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, BUB1B KAT6A 1433/4885RAB9A 2746/4885NPC1 3878/4885

“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.