SCHEMBL3113152

SCHEMBL3113152

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)NC3CC3)c2COCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.42
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHRM4 P08173 5/20 0.39
HPGDS O60760 1/20 0.39
LMNA P02545 1/20 0.38
CRHR1 P34998 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GABRA5 P31644 1/20 0.37

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
SCHEMBL5250417 0.94 SLC6A5 (0.38) SLC6A5MAPK11MAPK14CHRM4HPGDS
SCHEMBL5244846 0.93 SLC6A5 (0.37) SLC6A5CHRM4HPGDSMEN1KMT2A
SCHEMBL3112209 0.92 SLC6A5 (0.40) SLC6A5MAPK11MAPK14CHRM4HPGDS
Trifluoroacetic Acid SCHEMBL5247595 0.91 SLC6A5 (0.51) SLC6A5CHRM4LMNAMEN1KMT2A
SCHEMBL3118328 0.89 BRD4 (0.42) MAPK11MAPK14CHRM4LMNA
Trifluoroacetic Acid SCHEMBL5247913 0.89 DRD2 (0.49) SLC6A5CHRM4
SCHEMBL3111992 0.88 SPHK2 (0.45) MEN1KMT2AGABRA5
SCHEMBL5250048 0.88 EPHX2 (0.46) MAPK14LMNAMEN1KMT2A
SCHEMBL3107164 0.87 MEN1 (0.40) MAPK14MEN1KMT2A
SCHEMBL3113582 0.86 HPGD (0.42) LMNAMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 SLC6A5 2486/4885MAPK11 2236/4885MAPK14 1769/4885

“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.