SCHEMBL1889636

SCHEMBL1889636

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccccc1Oc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
TSHR P16473 3/20 0.56
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 3/20 0.56
TP53 P04637 3/20 0.51
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 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
SCHEMBL1895062 0.87 SMN1; SMN2 (0.70) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1897420 0.86 SMN1; SMN2 (0.62) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1896987 0.84 SMN1; SMN2 (0.61) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1006407 0.82 SMN1; SMN2 (0.62) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1007522 0.78 SMN1; SMN2 (0.76) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1006454 0.77 POLB (0.68) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1009320 0.76 SMN1; SMN2 (0.76) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1008020 0.76 SMN1; SMN2 (0.76) SMN1; SMN2TSHRPOLBTP53MAPT
SCHEMBL1008516 0.76 SMN1; SMN2 (0.59) SMN1; SMN2TSHRGAAHSD17B10POLB
SCHEMBL1007771 0.76 SMN1; SMN2 (0.78) SMN1; SMN2TSHRGAAHSD17B10TP53

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 4 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
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 SMN1; SMN2 3616/4885TSHR 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.