SCHEMBL16824850

SCHEMBL16824850

COc1cc([N+](=O)[O-])ccc1N1CCN(C(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
LMNA P02545 6/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 3/20 0.60
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.49
SLC6A5 Q9Y345 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL4362315 0.86 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL29556577 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2062270 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL1928415 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL30306152 0.83 GAA (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL3175637 0.83 GAA (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL32688941 0.82 KMT2A (0.53) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL993621 0.82 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL1813107 0.82 KMT2A (0.53) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL28531881 0.82 MAPT (0.61) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 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-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885LMNA 1299/4885MAPT 3636/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885LMNA 1299/4885MAPT 3636/4885
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK ALDH1A1 2839/4885LMNA 4829/4885MAPT 4522/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885LMNA 1299/4885MAPT 3636/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885LMNA 1299/4885MAPT 3636/4885

“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.