SCHEMBL13319087

SCHEMBL13319087

c1ccc(Cn2cc[n+](Cc3ccccc3Cn3cc[n+](Cc4ccccc4)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHKA P35790 4/20 0.39
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TBXAS1 P24557 1/20 0.36
QPCT Q16769 1/20 0.36
CYP4Z1 Q86W10 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL1044026 0.91 MAPT (0.48) MAPTMEN1KMT2ACHKACYP1A2
SCHEMBL15179014 0.90 MEN1 (0.36) MAPTMEN1KMT2ACHKARECQL
Water SCHEMBL31529732 0.89 MAPT (0.47) MAPTMEN1KMT2ACHKACYP1A2
Hydrochloric Acid SCHEMBL9343068 0.89 MAPT (0.47) MAPTMEN1KMT2ACHKACYP1A2
SCHEMBL10326004 0.89 MAPT (0.47) MAPTMEN1KMT2ACHKACYP1A2
Bromide SCHEMBL1046638 0.89 MEN1 (0.50) MAPTMEN1KMT2ACHKACYP1A2
SCHEMBL20622751 0.89 CHKA (0.39) MAPTMEN1KMT2ACHKACYP11B1
SCHEMBL15179013 0.85 MEN1 (0.33) MAPTMEN1KMT2A
SCHEMBL15179018 0.84 MEN1 (0.35) MAPTMEN1KMT2A
SCHEMBL15179012 0.83 TP53 (0.44) MAPTMEN1KMT2ACHKACYP1A2

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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN MAPT 4371/4885MEN1 1389/4885KMT2A 2974/4885

“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.