SCHEMBL26454870

SCHEMBL26454870

O=C(NCc1ccccc1)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.89
▸ TP53 P04637 1/20 0.89
▸ MAPK1 P28482 2/20 0.72
▸ POLB P06746 4/20 0.63
▸ L3MBTL1 Q9Y468 4/20 0.63
▸ MAPT P10636 3/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ LMNA P02545 4/20 0.60
▸ HTT P42858 2/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ KDM4E B2RXH2 5/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ RECQL P46063 2/20 0.58
▸ MCL1 Q07820 2/20 0.58
▸ CTDSP1 Q9GZU7 2/20 0.58

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
SCHEMBL26454875 0.92 ALDH1A1 (0.75) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL12301081 0.88 KMT2A (0.70) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL9876846 0.85 KMT2A (0.70) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL26099326 0.81 ALDH1A1 (0.67) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL2320640 0.80 ALDH1A1 (0.60) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL2318728 0.80 KMT2A (0.62) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL26454732 0.78 MAPT (0.68) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL6606481 0.78 KMT2A (0.76) ALDH1A1TP53MAPK1POLBL3MBTL1
SCHEMBL7638824 0.78 MEN1 (1.00) ALDH1A1TP53MAPK1KMT2AMEN1
SCHEMBL26100053 0.77 ALDH1A1 (0.72) ALDH1A1TP53MAPK1POLBL3MBTL1

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 ALDH1A1 1569/4885TP53 4568/4885MAPK1 4097/4885

“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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