SCHEMBL1007585

SCHEMBL1007585

O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.76
POLQ O75417 1/20 0.69
LMNA P02545 3/20 0.56
TSHR P16473 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
KCNJ2 P63252 1/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL1007218 0.98 POLB (0.73) POLBPOLQLMNATSHRNPSR1
SCHEMBL1007308 0.86 POLB (1.00) POLBPOLQLMNATSHRNPSR1
SCHEMBL1006932 0.86 POLB (0.77) POLBPOLQLMNATSHRNPSR1
SCHEMBL1005376 0.84 POLB (0.96) POLBPOLQLMNATSHRNPSR1
SCHEMBL1006501 0.82 POLQ (1.00) POLBPOLQLMNATSHRNPSR1
SCHEMBL1008020 0.78 SMN1; SMN2 (0.76) POLBLMNATSHRSMN1; SMN2MAPT
SCHEMBL1006301 0.76 TDP1 (0.69) POLBLMNATSHRSMN1; SMN2MAPT
SCHEMBL1006167 0.75 LMNA (0.94) POLBPOLQLMNATSHRNPSR1
SCHEMBL1007522 0.75 SMN1; SMN2 (0.76) POLBPOLQLMNATSHRNPSR1
SCHEMBL1006739 0.74 TDP1 (0.66) POLBPOLQLMNATSHRNPSR1

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 POLB 3571/4885POLQ 3429/4885LMNA 4015/4885

“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.