SCHEMBL17804151

SCHEMBL17804151

O=C(NCCO)c1ccnc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
POLB P06746 2/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 4/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
PREP P48147 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
NEK1 Q96PY6 1/20 0.46
MAPK14 Q16539 1/20 0.45
KDM5A P29375 1/20 0.45
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8945334 0.83 POLB (0.54) HPGDPOLBHTTKDM4EKMT2A
SCHEMBL20641566 0.83 KMT2A (0.48) KDM4ETAS1R3TAS1R1TAS1R2PREP
SCHEMBL11627803 0.83 SMN1; SMN2 (0.60) HPGDPOLBHTTKDM4ETAS1R3
SCHEMBL14988484 0.83 KMT2A (0.45) KDM4ETAS1R3TAS1R1TAS1R2PREP
SCHEMBL13702388 0.82 TAS1R3 (0.51) HPGDHTTKDM4ETAS1R3TAS1R1
SCHEMBL6503562 0.82 TAS1R3 (0.48) HPGDHTTKDM4ETAS1R3TAS1R1
SCHEMBL4059128 0.82 ALDH1A1 (0.51) HPGDHTTKDM4ETAS1R3TAS1R1
SCHEMBL27620112 0.82 TAS1R3 (0.46) HPGDPOLBHTTKDM4ETAS1R3
SCHEMBL3299192 0.81 HPGD (0.51) HPGDPOLBHTTKDM4EPREP
SCHEMBL10357586 0.81 HPGD (0.51) HPGDPOLBHTTKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA HPGD 3414/4885POLB 3483/4885HTT 552/4885

“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.