SCHEMBL1006787

SCHEMBL1006787

COc1cc2c(cc1OC)C(C)N(C(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)CC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 4/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 2/20 0.54
ALOX15 P16050 1/20 0.53
GAA P10253 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KCNJ2 P63252 1/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL22970639 0.71 SMN1; SMN2 (0.71) KMT2ALMNASMN1; SMN2MEN1TSHR
SCHEMBL1890276 0.70 TP53 (0.93) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL12379943 0.69 LMNA (0.76) LMNASMN1; SMN2MAPTTSHRTP53
SCHEMBL1008549 0.68 MAPT (0.81) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL1894452 0.68 MAPT (0.81) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL10661700 0.68 KMT2A (0.76) KMT2ALMNASMN1; SMN2TSHRTP53
SCHEMBL20142742 0.68 KCNJ2 (1.00) LMNAMAPTTSHRTP53ALOX15
SCHEMBL1008435 0.68 LMNA (1.00) LMNAMAPTTSHRTP53GAA
SCHEMBL1007905 0.67 SMN1; SMN2 (0.83) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL25722290 0.67 SMN1; SMN2 (0.60) KMT2ALMNASMN1; SMN2MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 KMT2A 1139/4885LMNA 4015/4885SMN1; SMN2 3616/4885

“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.