SCHEMBL1007771

SCHEMBL1007771

O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.78
TDP1 Q9NUW8 1/20 0.64
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 9/20 0.61
TSHR P16473 3/20 0.61
TP53 P04637 3/20 0.61
THRB P10828 2/20 0.61
LMNA P02545 2/20 0.60
CYP2C9 P11712 1/20 0.59
GRIA2 P42262 1/20 0.59
GAA P10253 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL1009320 0.99 SMN1; SMN2 (0.76) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1005976 0.91 SMN1; SMN2 (0.78) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1008020 0.90 SMN1; SMN2 (0.76) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1007522 0.90 SMN1; SMN2 (0.76) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1007309 0.90 SMN1; SMN2 (0.76) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1006721 0.88 SMN1; SMN2 (1.00) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1900171 0.87 SMN1; SMN2 (0.75) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1006091 0.86 ALDH1A1 (0.61) SMN1; SMN2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL1896902 0.86 SMN1; SMN2 (0.74) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL1889549 0.86 SMN1; SMN2 (0.80) SMN1; SMN2TDP1CYP1A2CYP3A4CYP2C19

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 SMN1; SMN2 3616/4885TDP1 3371/4885CYP1A2 2476/4885

“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.