SCHEMBL3765674

SCHEMBL3765674

O=C(Nc1ncccn1)OCC(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 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
SCHEMBL3766250 0.81 GAA (0.54) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3768072 0.79 ALDH1A1 (0.37) GAAALDH1A1
SCHEMBL4272417 0.75 TDP1 (0.59) LMNAHTTGAANPC1TDP1
SCHEMBL3760987 0.75 POLB (0.56) LMNANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3764534 0.74 KMT2A (0.47) GAANPC1TSHRRAB9ASMN1; SMN2
SCHEMBL5204490 0.74 FFAR2 (0.39) ALDH1A1
SCHEMBL10778464 0.74 NPC1 (0.54) LMNAHTTNPSR1NPC1TDP1
SCHEMBL3269780 0.73 RAB9A (0.50) LMNAHTTNPC1ALDH1A1RAB9A
SCHEMBL3272690 0.73 FFAR2 (0.41)
SCHEMBL3766245 0.73 CHRNB2 (0.41) KDM4E

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 LMNA 3346/4885HTT 1945/4885NPSR1 35/4885

“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.