SCHEMBL1894508

SCHEMBL1894508

COC(=O)c1cccc(C)c1Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.64
POLB P06746 3/20 0.64
TSHR P16473 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLQ O75417 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL1895206 0.88 LMNA (0.56) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1007401 0.85 POLB (0.69) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1007201 0.80 POLB (0.56) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL8003781 0.75 POLB (0.61) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1008072 0.75 POLQ (0.59) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1895205 0.75 POLB (0.58) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1006480 0.75 POLB (0.53) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1007507 0.74 LMNA (0.58) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1007152 0.73 POLB (0.54) TP53POLBTSHRSMN1; SMN2GAA
SCHEMBL1895799 0.72 SMN1; SMN2 (0.56) TP53POLBTSHRSMN1; SMN2GAA

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 TP53 3973/4885POLB 3571/4885TSHR 134/4885

“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.