SCHEMBL3005753

SCHEMBL3005753

N#CC1(CSc2nc3c(c(=O)n2-c2ccc(OCC(F)(F)F)cc2)CC(=O)N3)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.38
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
MGAT2 Q10469 3/20 0.31
LIPE Q05469 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2561992 0.89 ALDH1A1 (0.43) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2566730 0.85 FADS1 (0.42) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2561188 0.85 FADS1 (0.42) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2565032 0.85 TSHR (0.45) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL13257671 0.84 MEN1 (0.37) TSHRALDH1A1KMT2AGAAMEN1
SCHEMBL2997555 0.83 FADS1 (0.46) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2563697 0.83 TSHR (0.46) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2566655 0.83 FADS1 (0.40) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2561305 0.82 MEN1 (0.42) FADS1TSHRALDH1A1KMT2AGAA
SCHEMBL2566985 0.82 FADS1 (0.42) FADS1TSHRALDH1A1KMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES FADS1 140/4885TSHR 4543/4885ALDH1A1 875/4885

“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.