SCHEMBL12422972

SCHEMBL12422972

Cn1c2c(c3ccc(F)cc31)C(S)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
WDR5 P61964 1/20 0.38
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 1/20 0.36
NTRK1 P04629 2/20 0.36
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
HSD11B1 P28845 1/20 0.33
CCR3 P51677 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL12382603 0.83 ATM (0.42) ATMWDR5MEN1HCRTR1KMT2A
SCHEMBL2294983 0.83 ATM (0.42) ATMWDR5MEN1HCRTR1KMT2A
SCHEMBL2295376 0.68 ATM (0.46) ATMMEN1HCRTR1KMT2ANTRK1
SCHEMBL12382598 0.68 MEN1 (0.35) MEN1KMT2ANTRK1
SCHEMBL18270526 0.67 ATM (0.63) ATMMEN1HCRTR1KMT2ADRD2
SCHEMBL12382614 0.67 ATM (0.42) ATMWDR5MEN1HCRTR1KMT2A
SCHEMBL2297131 0.67 ATM (0.42) ATMWDR5MEN1HCRTR1KMT2A
SCHEMBL21311185 0.67 ATM (0.80) ATMMEN1HCRTR1KMT2A
SCHEMBL2293889 0.65 MAOA (0.39) MEN1KMT2ANTRK1
SCHEMBL12422969 0.65 MAOA (0.39) MEN1KMT2ANTRK1

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-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 ATM 918/4885WDR5 3985/4885MEN1 2863/4885

“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.