SCHEMBL26454872

SCHEMBL26454872

CCN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ ALDH1A1 P00352 8/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2320640 0.89 ALDH1A1 (0.60) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL26099431 0.84 MAPT (0.70) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL2315847 0.81 ALDH1A1 (0.53) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL2321932 0.81 ALDH1A1 (0.50) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL2318191 0.80 DRD2 (0.43) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL2319375 0.80 ALDH1A1 (0.56) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL2322437 0.80 FKBP1A (0.55) ALDH1A1TP53MAPK1LMNATSHR
SCHEMBL2320616 0.80 ALDH1A1 (0.41) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL2321536 0.79 MAPT (0.48) MAPTALDH1A1TP53MAPK1LMNA
SCHEMBL2449912 0.79 ALDH1A1 (0.45) MAPTALDH1A1TP53MAPK1LMNA

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-20230139910-A1 COMPOSITIONS AND METHODS FOR TREATING MALARIA UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2023-05-04 — — US disclosed
US-20230139910-A1 COMPOSITIONS AND METHODS FOR TREATING MALARIA UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 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 (1 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-20230139910-A1 COMPOSITIONS AND METHODS FOR TREATING MALARIA G6PD, QDPR, FASN MAPT 1034/4885ALDH1A1 1569/4885TP53 4568/4885

“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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