SCHEMBL12293146

SCHEMBL12293146

CO/N=C(\CCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.52
PHGDH O43175 1/20 0.49
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
FKBP1A P62942 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2436540 1.00 PKM (0.54) PKMKMT2APHGDHDRD4DRD2
SCHEMBL2436539 1.00 PKM (0.54) PKMKMT2APHGDHDRD4DRD2
SCHEMBL2432536 0.88 HPGD (0.50) KMT2ADRD4DRD2RAB9AHPGD
SCHEMBL2432533 0.88 HPGD (0.50) KMT2ADRD4DRD2RAB9AHPGD
SCHEMBL2434083 0.85 ALDH1A1 (0.48) KMT2ADRD4DRD2RAB9AHPGD
SCHEMBL2434087 0.85 ALDH1A1 (0.48) KMT2ADRD4DRD2RAB9AHPGD
SCHEMBL2433278 0.85 DRD4 (0.46) KMT2ADRD4DRD2RAB9AHPGD
SCHEMBL2434467 0.81 DRD4 (0.45) DRD4DRD2ALDH1A1LMNA
SCHEMBL2434468 0.81 DRD4 (0.45) DRD4DRD2ALDH1A1LMNA
SCHEMBL2432801 0.80 ALDH1A1 (0.51) PKMKMT2ADRD4DRD2ALDH1A1

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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA PKM 105/4885KMT2A 140/4885PHGDH 311/4885

“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.