SCHEMBL1893079

SCHEMBL1893079

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc2c1CCC2

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.74
POLB P06746 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
TSHR P16473 3/20 0.69
GAA P10253 1/20 0.69
HSD17B10 Q99714 1/20 0.69
MAPT P10636 10/20 0.64
LMNA P02545 2/20 0.64
THRB P10828 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL1007707 0.85 POLB (0.81) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL1009425 0.84 TP53 (0.78) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL1007898 0.84 POLB (0.64) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL1007695 0.83 TP53 (0.80) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL8007309 0.81 MAPT (0.76) TP53POLBSMN1; SMN2MAPTLMNA
SCHEMBL1006939 0.81 TP53 (0.79) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL8009300 0.81 TP53 (0.75) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL1894575 0.80 TP53 (0.78) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL1008134 0.80 POLB (0.64) TP53POLBSMN1; SMN2TSHRGAA
SCHEMBL1006454 0.79 POLB (0.68) TP53POLBSMN1; SMN2TSHRGAA

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 3 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
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
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 3571/4885SMN1; 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.