SCHEMBL3769768

SCHEMBL3769768

Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 7/20 0.68
MAPT P10636 7/20 0.68
HPGD P15428 5/20 0.68
GAA P10253 2/20 0.68
LMNA P02545 1/20 0.68
ADORA1 P30542 1/20 0.61
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 5/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
RECQL P46063 1/20 0.50
ANO1 Q5XXA6 1/20 0.49
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
TLR2 O60603 1/20 0.47

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
SCHEMBL134682 0.97 TDP1 (0.65) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL137057 0.85 ALDH1A1 (0.68) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL138711 0.85 TDP1 (0.74) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL4154525 0.84 ALDH1A1 (0.67) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL135520 0.83 TDP1 (0.64) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL3656064 0.83 ALDH1A1 (0.81) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL3768107 0.82 TDP1 (0.74) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL3768395 0.82 TDP1 (0.74) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL136844 0.82 TDP1 (0.74) TDP1ALDH1A1MAPTHPGDGAA
SCHEMBL4057532 0.82 TDP1 (0.70) TDP1ALDH1A1MAPTHPGDGAA

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-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 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-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS S1PR3, S1PR1, S1PR5 TDP1 1316/4885ALDH1A1 4570/4885MAPT 4166/4885

“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.