SCHEMBL3772069

SCHEMBL3772069

O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 6/20 0.60
MAPK1 P28482 5/20 0.60
HTT P42858 5/20 0.60
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 2/20 0.60
GAA P10253 2/20 0.60
FAAH O00519 8/20 0.59
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
HSD17B10 Q99714 3/20 0.55
ALOX15 P16050 1/20 0.51

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
SCHEMBL3766124 0.86 MAPT (0.66) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3761627 0.85 FAAH (0.67) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3769526 0.84 TRPV1 (0.61) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3766345 0.84 MAPT (0.63) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3764649 0.82 FAAH (0.62) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3764179 0.82 MAPT (0.61) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3765668 0.82 FAAH (0.80) FAAHRAB9ANPC1
SCHEMBL3767438 0.81 RAB9A (0.61) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3772182 0.81 MAPT (0.57) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL3767928 0.81 MAPT (0.57) MAPTALDH1A1MAPK1HTTLMNA

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 3805/4885ALDH1A1 353/4885MAPK1 2636/4885

“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.