SCHEMBL3763270

SCHEMBL3763270

O=C(Nc1cnns1)OCC(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.32
RIPK1 Q13546 1/20 0.32
NR2F2 P24468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL4698951 0.74 SMARCA2 (0.46) KMT2AALDH1A1MEN1RIPK1NR2F2
SCHEMBL4270598 0.71 ALDH1A1 (0.37) KMT2AALDH1A1POLBMEN1NR2F2
SCHEMBL3766141 0.70 BCAT2 (0.40) KMT2AALDH1A1POLBMEN1SMN1; SMN2
SCHEMBL3765678 0.70 ALDH1A1 (0.44) KMT2AALDH1A1POLBSMN1; SMN2CYP1A2
SCHEMBL38661651 0.70 ALDH1A1 (0.33) KMT2AALDH1A1POLB
SCHEMBL3765780 0.70 BCHE (0.41) KMT2AALDH1A1POLBMEN1SMN1; SMN2
SCHEMBL38664216 0.69 NLRP3 (0.39) ALDH1A1POLBCYP1A2CYP2C19
SCHEMBL3765674 0.68 LMNA (0.43) ALDH1A1SMN1; SMN2
SCHEMBL9984900 0.67 BCHE (0.56) KMT2AALDH1A1POLBMEN1SMN1; SMN2
SCHEMBL3760987 0.67 POLB (0.56) KMT2AALDH1A1POLBMEN1SMN1; SMN2

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 FFAR2 258/4885KMT2A 261/4885ALDH1A1 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.