SCHEMBL4101014

SCHEMBL4101014

C=CCc1nnc(C(F)(F)F)n1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13104703 0.78 MAPT (0.38) SMN1; SMN2MAPTRECQLMEN1TSHR
SCHEMBL11339077 0.76 MAPT (0.37) SMN1; SMN2MAPTRECQLMEN1TSHR
SCHEMBL4786220 0.76 MAPT (0.37) SMN1; SMN2MAPTRECQLMEN1TSHR
SCHEMBL29245722 0.76 MAPT (0.41) SMN1; SMN2MAPTRECQLMEN1TSHR
SCHEMBL1976593 0.74 MAPT (0.36) SMN1; SMN2MAPTRECQLMEN1TSHR
SCHEMBL16363146 0.73 MAPT (0.42) SMN1; SMN2MAPTRECQLMEN1TSHR
SCHEMBL11328965 0.72
SCHEMBL13190837 0.66
SCHEMBL13190522 0.66
SCHEMBL13093073 0.66 MAPT (0.38) SMN1; SMN2MAPTRECQLMEN1TSHR

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-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-08 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-20090012074-A1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the Dopamine D3 receptor ADRB3, SLC6A3, NR3C2 SMN1; SMN2 1423/4885MAPT 4640/4885RECQL 2177/4885

“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.