SCHEMBL3003298

SCHEMBL3003298

O=c1c2[nH]ccc2nc(SCCOC2CCOCC2)n1-c1ccc(OCC2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.35
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ACACB O00763 1/20 0.33
LMNA P02545 3/20 0.33
PDE1B Q01064 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CD38 P28907 1/20 0.32
PDE7A Q13946 1/20 0.31
FADS1 O60427 1/20 0.31
BRD4 O60885 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
SCHEMBL2566506 0.95 TP53 (0.34) TP53TSHRKMT2AMEN1ACACB
SCHEMBL2998780 0.89 FADS1 (0.43) TP53TSHRKMT2AMEN1LMNA
SCHEMBL2564410 0.84 TSHR (0.41) TP53TSHRKMT2AMEN1ACACB
SCHEMBL2566036 0.84 TP53 (0.38) TP53TSHRKMT2AMEN1LMNA
SCHEMBL2563076 0.84 FADS1 (0.42) TP53TSHRKMT2AMEN1LMNA
SCHEMBL3004162 0.84 TSHR (0.36) TP53TSHRKMT2AMEN1ACACB
SCHEMBL2567525 0.84 TP53 (0.34) TP53TSHRKMT2AMEN1ACACB
SCHEMBL2990546 0.83 TSHR (0.40) TP53TSHRKMT2AMEN1ACACB
SCHEMBL2568131 0.82 TSHR (0.46) TP53TSHRKMT2AMEN1LMNA
SCHEMBL2997987 0.82 TSHR (0.40) TP53TSHRKMT2AMEN1ACACB

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 TP53 836/4885TSHR 4543/4885KMT2A 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.