SCHEMBL1007605

SCHEMBL1007605

CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
TSHR P16473 3/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 7/20 0.60
POLQ O75417 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TP53 P04637 4/20 0.60
LMNA P02545 4/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL1007066 0.98 SMN1; SMN2 (0.63) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1896530 0.91 MAPT (0.69) POLBTSHRMAPTTP53LMNA
SCHEMBL1006664 0.89 MAPT (0.56) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1009558 0.88 ALDH1A1 (0.61) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1008148 0.88 POLB (0.63) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1005581 0.87 ALDH1A1 (0.57) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1005492 0.86 POLB (0.59) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1008311 0.85 POLQ (0.61) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1890413 0.85 MAPT (0.57) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1898637 0.84 POLQ (0.52) POLBTSHRGAAHSD17B10MAPT

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 3571/4885TSHR 134/4885GAA 4077/4885

“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.