SCHEMBL3764649

SCHEMBL3764649

O=C(Nc1cncnc1)N1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.62
MAPT P10636 9/20 0.59
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HTT P42858 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPK1 P28482 7/20 0.59
HSD17B10 Q99714 2/20 0.58
LMNA P02545 4/20 0.58
TP53 P04637 2/20 0.58
GAA P10253 2/20 0.58
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL3761168 0.89 FAAH (0.68) FAAHMAPTALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3772523 0.89 FAAH (0.67) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3761627 0.88 FAAH (0.67) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3773295 0.85 FAAH (0.60) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3766124 0.85 MAPT (0.66) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3771738 0.85 MAPT (0.59) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3764162 0.82 FAAH (0.66) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3772069 0.82 MAPT (0.60) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3761278 0.82 MAPT (0.69) FAAHMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3766091 0.82 FAAH (0.69) FAAHMAPTALDH1A1SMN1; SMN2HTT

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 FAAH 1/4885MAPT 3805/4885ALDH1A1 353/4885

“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.