SCHEMBL574245

SCHEMBL574245

CC(C)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL28407960 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL27453998 0.81 HTR2A (0.35) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL28290766 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL1796846 0.80 ALDH1A1 (0.44) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL27299166 0.80 L3MBTL1 (0.38) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL11412833 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1PKMLMNAMAPT
SCHEMBL27927715 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL11416392 0.79 MAPT (0.37) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL2977912 0.77 ALDH1A1 (0.39) ALDH1A1L3MBTL1PKMHTR2AHTR2C
SCHEMBL28016917 0.77 L3MBTL1 (0.36) ALDH1A1L3MBTL1PKMHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777196-B Method for synthesizing Ai Fulin amide isomer derivative 常州大学 2026-05-19 CN disclosed
US-12545649-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2026-02-10 US disclosed
US-20240360120-A1 RAD51 INHIBITORS CYTEIR THERAPEUTICS, INC. 2024-10-31 US disclosed
EP-3938358-B1 RAD51 INHIBITORS CYTEIR THERAPEUTICS INC (US) 2024-10-02 EP disclosed
CN-114072390-B RAD51 inhibitors 赛泰尔治疗公司 2024-06-11 CN disclosed
CN-117777196-A Method for synthesizing Ai Fulin amide isomer derivative 常州大学 2024-03-29 CN disclosed
US-11932636-B2 RAD51 inhibitors CYTEIR THERAPEUTICS, INC. (US) 2024-03-19 US disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed
US-20230022304-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
WO-2008005956-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 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 (8 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-12545649-B2 WDR5-MYC inhibitors MYC, MYCBP, WDR1 ALDH1A1 4135/4885L3MBTL1 517/4885PKM 4769/4885
US-20080009497-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ALDH1A1 3049/4885L3MBTL1 4590/4885PKM 405/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 ALDH1A1 1040/4885L3MBTL1 3722/4885PKM 1616/4885
US-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK ALDH1A1 651/4885L3MBTL1 2917/4885PKM 1968/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 ALDH1A1 1040/4885L3MBTL1 3722/4885PKM 1616/4885
US-20240360120-A1 RAD51 INHIBITORS RAD51, MRE11, RAD54L ALDH1A1 4493/4885L3MBTL1 1142/4885PKM 4363/4885
US-20230022304-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP ALDH1A1 3982/4885L3MBTL1 702/4885PKM 3991/4885
US-11932636-B2 RAD51 inhibitors RAD51, MRE11, RAD54L ALDH1A1 4493/4885L3MBTL1 1142/4885PKM 4363/4885

“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.