SCHEMBL13040657

SCHEMBL13040657

Cc1ccc(C)n1-c1cc(C[Si](C)(C)C)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
LMNA P02545 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
KDM4E B2RXH2 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL18585998 0.81 ALDH1A1 (0.36) ALDH1A1LMNALOXL2KDM4EL3MBTL1
SCHEMBL4593796 0.81 RECQL (0.47) ALDH1A1LMNALOXL2KDM4EL3MBTL1
SCHEMBL13040670 0.78 ALDH1A1 (0.35) ALDH1A1LMNALOXL2KDM4EL3MBTL1
SCHEMBL4334724 0.77 KDM4E (0.41) ALDH1A1LMNALOXL2KDM4EL3MBTL1
SCHEMBL6619720 0.74 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EL3MBTL1GLA
SCHEMBL4594365 0.72 ALDH1A1 (0.34) ALDH1A1LMNALOXL2KDM4EHPGD
SCHEMBL4594579 0.72 AKT1 (0.36) ALDH1A1LMNAKDM5AKDM4C
SCHEMBL31068662 0.71 CCR1 (0.63) ALDH1A1LMNALOXL2KDM4EESR1
SCHEMBL1681724 0.71 CCR1 (0.44) LOXL2KDM4EESR1KDM4CRECQL
SCHEMBL3560036 0.71 KDM4E (0.47) ALDH1A1LMNAKDM4EL3MBTL1GLA

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-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 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-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING NOS2, NOS3, NOS1 ALDH1A1 1292/4885LMNA 4326/4885LOXL2 2846/4885

“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.