SCHEMBL1008148

SCHEMBL1008148

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

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 7/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 3/20 0.59
GAA P10253 1/20 0.59
HSD17B10 Q99714 1/20 0.59
POLQ O75417 1/20 0.58
TP53 P04637 3/20 0.58
LMNA P02545 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL1008311 0.89 POLQ (0.61) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1007605 0.88 POLB (0.63) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1007066 0.86 SMN1; SMN2 (0.63) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1006664 0.80 MAPT (0.56) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1895472 0.79 MAPT (0.75) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1896530 0.79 MAPT (0.69) POLBMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL1005492 0.78 POLB (0.59) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1008082 0.78 POLB (0.64) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1007522 0.78 SMN1; SMN2 (0.76) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1892542 0.78 MAPT (0.73) POLBSMN1; SMN2MAPTCYP1A2CYP3A4

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 3571/4885SMN1; SMN2 3616/4885MAPT 4623/4885

“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.