SCHEMBL29376467

SCHEMBL29376467

CN(C)Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ SLC2A1 P11166 2/20 0.45
▸ MAPT P10636 6/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EGFR P00533 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL3824030 0.81 RAB9A (0.62) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL2592673 0.80 HSP90AA1 (0.46) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL18588878 0.79 MAPT (0.53) NPC1MEN1KMT2AHSP90AA1SLC2A1
Nifurthiazole SCHEMBL194337 0.78 HSP90AA1 (0.45) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL3344653 0.76 MAPT (0.53) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL11827105 0.73 NPC1 (0.49) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL11827112 0.73 NPC1 (0.49) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL5901944 0.68 SLC2A1 (0.42) NPC1MEN1KMT2AHSP90AA1SLC2A1
SCHEMBL11610175 0.64 CHEK1 (0.43) NPC1MEN1KMT2ASLC2A1MAPT
SCHEMBL21823820 0.63 CYP19A1 (0.56) NPC1MEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118594693-B Vertical roller mill with main roller and auxiliary roller as active rotating parts and design method thereof 合肥中亚建材装备有限责任公司天津分公司 2026-05-19 — — CN claimed
CN-119783275-A Design method for ball screw pair surface parameters working under extreme temperature working condition 南京理工大学 2025-04-08 — — CN claimed
CN-118594693-A Vertical roller mill with main roller and auxiliary roller as active rotating parts and design method thereof 中材(天津)粉体技术装备有限公司 2024-09-06 — — CN claimed
CN-118058281-A Application of DMNT in preventing and controlling liriomyza sativae 浙江大学海南研究院 2024-05-24 — — CN claimed
CN-118594693-B Vertical roller mill with main roller and auxiliary roller as active rotating parts and design method thereof 合肥中亚建材装备有限责任公司天津分公司 2026-05-19 — — CN disclosed
EP-4637738-A2 INHIBITORS OF JAK2 Llydaw Therapeutics, Inc. (US) 2025-10-29 — — EP disclosed
CN-114015726-B Delivery, use and therapeutic application of CRISPR-CAS systems and compositions for targeting disorders and diseases with viral components 布罗德研究所有限公司 2025-06-24 — — CN disclosed
WO-2025103829-A1 SYSTEM AND METHOD FOR ASSESSING AND OPTIMIZING WIND FARMS USING MACHINE LEARNING SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2025-05-22 — — WO disclosed
CN-113425857-B Delivery and use of CRISPR-CAS systems, vectors and compositions for liver targeting and treatment 布罗德研究所有限公司 2025-05-16 — — CN disclosed
CN-119783275-A Design method for ball screw pair surface parameters working under extreme temperature working condition 南京理工大学 2025-04-08 — — CN disclosed
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON 2025-04-03 — — US disclosed
US-20250101468-A1 DELIVERY AND USE OF THE CRISPR-CAS SYSTEMS, VECTORS AND COMPOSITIONS FOR HEPATIC TARGETING AND THERAPY THE BROAD INSTITUTE, INC. (US) 2025-03-27 — — US disclosed
CN-118594693-A Vertical roller mill with main roller and auxiliary roller as active rotating parts and design method thereof 中材(天津)粉体技术装备有限公司 2024-09-06 — — CN disclosed
CN-112596890-B Flight program operation logic structuring method and system 中国商用飞机有限责任公司北京民用飞机技术研究中心 2024-07-23 — — CN disclosed
CN-116144681-B Tomato leaf miner Dnmt1 gene and its function in stress temperature response and development of tomato leaf miner 中国农业科学院植物保护研究所 2024-07-09 — — CN disclosed
US-12018275-B2 Delivery and use of the CRISPR-CAS systems, vectors and compositions for hepatic targeting and therapy THE BROAD INSTITUTE, INC. (US) 2024-06-25 — — US disclosed
CN-113671080-B Method for improving tea tree to avoid adults of tea geometrid 安徽农业大学 2023-06-02 — — CN disclosed
US-11572384-B2 Unusual substrates of tubulin tyrosine ligase FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-02-07 — — US disclosed
CN-109657112-B Cross-modal Hash learning method based on anchor point diagram 九江学院 2022-07-08 — — CN disclosed
CN-114015726-A Delivery, use and therapeutic applications of CRISPR-CAS systems and compositions for targeting disorders and diseases with viral components 布罗德研究所有限公司 2022-02-08 — — CN 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 (2 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-11572384-B2 Unusual substrates of tubulin tyrosine ligase TTL, TUBA1C, TUBB6 NPC1 3969/4885MEN1 3206/4885KMT2A 3093/4885
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES DHFR, CCNH, ODC1 NPC1 2613/4885MEN1 2382/4885KMT2A 896/4885

“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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