SCHEMBL3760987

SCHEMBL3760987

O=C(Nc1ccncc1)OCC(Cl)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
BCHE P06276 2/20 0.55
MDM2 Q00987 1/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP17A1 P05093 1/20 0.43
NT5E P21589 1/20 0.42
CYP3A4 P08684 2/20 0.41

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
SCHEMBL10778464 0.83 NPC1 (0.54) POLBKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3765780 0.83 BCHE (0.41) POLBBCHEKMT2AMEN1LMNA
SCHEMBL22155015 0.81 SMARCA2 (0.54) BCHEKMT2AMEN1SMARCA2SMARCA4
SCHEMBL3269780 0.81 RAB9A (0.50) KMT2AMEN1NAMPTL3MBTL1PKM
SCHEMBL8921012 0.81 GAA (0.45) POLBKMT2AMEN1KDM4EL3MBTL1
SCHEMBL3766141 0.80 BCAT2 (0.40) POLBBCHEKMT2AMEN1LMNA
SCHEMBL3766245 0.78 CHRNB2 (0.41) POLBBCHENAMPTKDM4ECYP3A4
SCHEMBL3836378 0.77 BCHE (0.64) POLBBCHEMDM2KMT2AMEN1
SCHEMBL22125283 0.77 SMARCA2 (0.60) SMARCA2SMARCA4
SCHEMBL9984900 0.77 BCHE (0.56) POLBBCHEKMT2AMEN1KDM4E

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 POLB 2770/4885BCHE 1562/4885MDM2 4234/4885

“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.