SCHEMBL3004162

SCHEMBL3004162

CC(C)OCCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
TP53 P04637 6/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 3/20 0.34
ACACB O00763 3/20 0.34
GAA P10253 2/20 0.34
FADS1 O60427 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KAT2B Q92831 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2990464 0.95 TSHR (0.35) TSHRTP53KMT2ALMNAACACB
SCHEMBL2564410 0.89 TSHR (0.41) TSHRTP53KMT2ALMNAACACB
SCHEMBL2990546 0.87 TSHR (0.40) TSHRTP53KMT2ALMNAACACB
SCHEMBL2566036 0.86 TP53 (0.38) TSHRTP53KMT2ALMNAGAA
SCHEMBL2568131 0.86 TSHR (0.46) TSHRTP53KMT2ALMNAGAA
SCHEMBL2997987 0.86 TSHR (0.40) TSHRTP53KMT2ALMNAACACB
SCHEMBL2566162 0.85 TSHR (0.35) TSHRTP53KMT2ALMNAACACB
SCHEMBL2569802 0.84 TSHR (0.35) TSHRTP53KMT2ALMNAACACB
SCHEMBL3003298 0.84 TP53 (0.35) TSHRTP53KMT2ALMNAACACB
SCHEMBL2567318 0.83 TSHR (0.36) TSHRTP53KMT2ALMNAGAA

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 TSHR 4543/4885TP53 836/4885KMT2A 2107/4885

“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.