SCHEMBL1233779

SCHEMBL1233779

Cc1nc(Oc2ccccc2)c2nc(CCl)n(CCCN(C(=O)O)C(C)(C)C)c2c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR7 Q9NYK1 13/20 0.32
PIN1 Q13526 1/20 0.31
P2RX3 P56373 3/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL1230929 0.81 DYRK1A (0.43) ALDH1A1KMT2ATLR7
SCHEMBL1233066 0.80 KMT2A (0.42) ALDH1A1KMT2AP2RX3
SCHEMBL1233520 0.78 ALDH1A1 (0.38) ALDH1A1KMT2ATLR7P2RX3
SCHEMBL5124491 0.75 MEN1 (0.33) ALDH1A1KMT2ATLR7
SCHEMBL4792944 0.75 HPGD (0.40) ALDH1A1KMT2ATLR7
SCHEMBL4792366 0.74 HPGD (0.39) KMT2ATLR7
SCHEMBL1490737 0.74 TLR7 (0.51) TLR7
SCHEMBL4794750 0.73 HPGD (0.39) KMT2ATLR7
SCHEMBL4792078 0.73 HPGD (0.39) KMT2ATLR7
SCHEMBL6096040 0.72 TLR7 (0.43) TLR7

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-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 ALDH1A1 401/4885KMT2A 2219/4885TLR7 821/4885

“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.