SCHEMBL3769757

SCHEMBL3769757

O=C(OCC(Cl)(Cl)Cl)N(C(=O)OCC(Cl)(Cl)Cl)c1n[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRA6 Q16445 1/20 0.44
KDM4E B2RXH2 11/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
MAP2K4 P45985 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 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
SCHEMBL29431300 0.77 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19100167 0.77 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3771794 0.74 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11703366 0.69 KDM4E (0.57) KDM4ENPC1RAB9ASTAT3HIF1A
SCHEMBL3760867 0.68 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3770658 0.68 PKM (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11702907 0.67 KDM4E (0.54) KDM4ENPC1STAT3HIF1ASMN1; SMN2
SCHEMBL17889441 0.65 KDM4E (0.49) KDM4ENPC1RAB9ASTAT3HIF1A
SCHEMBL3610984 0.65 KDM4E (0.47) KDM4ENPC1RAB9ASTAT3HIF1A
SCHEMBL3774638 0.64 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 633/4885GABRG2 1147/4885GABRB3 842/4885

“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.