SCHEMBL30101244

SCHEMBL30101244

[Ti]C1=CC=C2N=c3ccccc3=C12

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
MAPK10 P53779 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TGM2 P21980 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
SCHEMBL29131229 0.72 TGM2 (0.31) TGM2
SCHEMBL793243 0.68 MAPT (0.38) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL5734376 0.66 MAPT (0.32) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL7811940 0.65 MAPT (0.33) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL7811945 0.64 ATM (0.31) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL1820520 0.63 ALDH1A1 (0.33) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL29161382 0.63 MAPT (0.54) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL4555854 0.61
SCHEMBL8890839 0.60 MAPT (0.35) ALDH1A1MAPTMEN1LMNAPOLB
SCHEMBL4132834 0.59 MAPT (0.37) ALDH1A1MAPTMEN1LMNAPOLB

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-11560394-B2 Metal complex comprising amidine and indole fused cyclopentadienyl ligands ARLANXEO NETHERLANDS B.V. 2023-01-24 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-11560394-B2 Metal complex comprising amidine and indole fused cyclopentadienyl ligands C5, C1S, CLIC4 ALDH1A1 4269/4885MAPT 2985/4885MEN1 206/4885

“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.