SCHEMBL1356569

SCHEMBL1356569

COC(=O)C(N)Cc1ccnn1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HPGDS O60760 1/20 0.37
P2RX7 Q99572 4/20 0.37
GAA P10253 1/20 0.36
PTGS2 P35354 1/20 0.35
LMNA P02545 1/20 0.34
ANPEP P15144 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
SCHEMBL3627288 0.78 SLC13A5 (0.46) ALDH1A1PTGS2
SCHEMBL3627285 0.78 SLC13A5 (0.46) ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL540304 0.77 ALDH1A1 (0.46) ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL27850090 0.77 ALDH1A1 (0.46) ALDH1A1PTGS2
SCHEMBL28704258 0.73 MIF (0.39) ALDH1A1PTGS2ANPEP
SCHEMBL23480895 0.73 CYP11B1 (0.36) ALDH1A1PTGS2
SCHEMBL29063413 0.73 CYP11B1 (0.36) ALDH1A1PTGS2
SCHEMBL8462131 0.72 KMT2A (0.39) KMT2AL3MBTL1KDM4CHPGDHPGDS
SCHEMBL5401318 0.71 ALDH1A1 (0.47) ALDH1A1PTGS2
SCHEMBL24158724 0.71 KMT2A (0.46) KMT2AL3MBTL1KDM4CHPGDSP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 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 (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-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 KMT2A 865/4885L3MBTL1 4369/4885KDM4C 1094/4885

“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.