SCHEMBL3766404

SCHEMBL3766404

O=C(Nc1cccnc1)N1CCN(c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MAPK1 P28482 5/20 0.59
LMNA P02545 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
GAA P10253 2/20 0.56
AR P10275 1/20 0.56
FAAH O00519 3/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KIT P10721 1/20 0.53
TRPV1 Q8NER1 3/20 0.53
PHGDH O43175 1/20 0.52
HSD17B10 Q99714 1/20 0.49
RECQL P46063 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL3761029 0.88 FAAH (0.63) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3765698 0.86 MAPT (0.64) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3771970 0.86 MAPT (0.63) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3761168 0.86 FAAH (0.68) MAPTMAPK1LMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL3772523 0.85 FAAH (0.67) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3766412 0.84 MAPT (0.59) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3770874 0.84 MAPT (0.83) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3778524 0.83 SMN1; SMN2 (0.61) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL3764390 0.81 AR (0.69) MAPTMAPK1LMNAALDH1A1HTT
SCHEMBL18711771 0.80 AR (0.67) MAPTMAPK1LMNAALDH1A1HTT

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MAPT 3805/4885MAPK1 2636/4885LMNA 3346/4885

“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.