SCHEMBL26464995

SCHEMBL26464995

COc1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
SLC6A5 Q9Y345 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
STS P08842 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL6808636 0.90 ALDH1A1 (0.67) ALDH1A1MAPTLMNASLC6A5SMN1; SMN2
SCHEMBL29803356 0.90 ALDH1A1 (0.67) ALDH1A1MAPTLMNASLC6A5SMN1; SMN2
SCHEMBL10036437 0.89 MAPT (0.55) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL574624 0.88 MAPT (0.49) ALDH1A1MAPTLMNASLC6A5DRD2
SCHEMBL574625 0.88 MAPT (0.49) ALDH1A1MAPTLMNASLC6A5DRD2
SCHEMBL30425302 0.87 MAPT (0.55) ALDH1A1MAPTLMNASLC6A5MAPK1
SCHEMBL26495535 0.87 MAPT (0.55) ALDH1A1MAPTLMNASLC6A5MAPK1
SCHEMBL15244150 0.86 MAPT (0.44) ALDH1A1MAPTLMNASLC6A5DRD2
SCHEMBL10126924 0.85 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2CYP1A2
SCHEMBL25194818 0.84 KDM4E (0.46) ALDH1A1MAPTMAPK1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-05-04 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-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF FLT3, AXL, ABL1 ALDH1A1 2607/4885MAPT 2354/4885LMNA 3768/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 ALDH1A1 2716/4885MAPT 2898/4885LMNA 3233/4885

“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.