SCHEMBL3240302

SCHEMBL3240302

CC(C)(C)OC(=O)n1ccc2c([N+](=O)[O-])cccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MET P08581 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 2/20 0.37
AKT1 P31749 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
BUB1 O43683 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL30123312 1.00 GAA (0.42) GAAL3MBTL1TDP1ALDH1A1LMNA
SCHEMBL12270022 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1LMNAMAPTNPSR1
SCHEMBL31431068 0.82 MAPT (0.38) L3MBTL1ALDH1A1LMNAMAPTMET
SCHEMBL25340072 0.81 MAPT (0.37) GAAL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL18487086 0.79 L3MBTL1 (0.45) L3MBTL1NOTUMHSP90AA1AKT1BRD4
SCHEMBL3836430 0.79 L3MBTL1 (0.45) L3MBTL1NOTUMHSP90AA1AKT1BRD4
SCHEMBL424580 0.79 L3MBTL1 (0.48) L3MBTL1NOTUMHSP90AA1AKT1BRD4
SCHEMBL21054987 0.79 ACLY (0.44) L3MBTL1TDP1ALDH1A1LMNAMAPT
SCHEMBL28299075 0.79 KMT2A (0.45) GAATDP1ALDH1A1METHSP90AA1
SCHEMBL3697440 0.79 BRD4 (0.37) L3MBTL1ALDH1A1LMNAMETHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727972-B Novel hydrazone derivatives having terminal amine groups substituted with aryl or heteroaryl groups and use thereof 韩国科学技术研究院 2024-12-27 CN disclosed
CN-118946553-A SARM1 inhibitor compound, pharmaceutical composition comprising the same, and preparation method and use thereof 深圳众格生物科技有限公司 2024-11-12 CN disclosed
WO-2023193809-A1 SARM1 INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USES THEREOF 深圳众格生物科技有限公司 2023-10-12 WO disclosed
CN-116731045-A KRAS inhibitor, preparation method and application thereof 北京华森英诺生物科技有限公司 2023-09-12 CN disclosed
CN-113727972-A Novel hydrazone derivatives in which terminal amino group is substituted with aryl or heteroaryl group, and use thereof 韩国科学技术研究院 2021-11-30 CN disclosed
WO-2020130214-A1 NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF 한국과학기술연구원 2020-06-25 WO disclosed
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 US disclosed
US-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE WYETH (US) 2010-02-11 US disclosed
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US disclosed
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-10 US 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-20100036123-A1 PROCESS FOR THE PREPARATION OF 2,4-DICHLORO-7H-PYRROLO[2,3H]QUINAZOLINE NQO2, QDPR, DHPS GAA 1830/4885L3MBTL1 4843/4885TDP1 1725/4885
US-20090227575-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS MTOR, RICTOR, RPS6KA3 GAA 3471/4885L3MBTL1 3081/4885TDP1 2751/4885

“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.