SCHEMBL7977632

SCHEMBL7977632

COC(=O)CCC(=N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.49
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL7980416 0.91 L3MBTL1 (0.58) HPGDL3MBTL1POLBTSHRHTT
SCHEMBL3668982 0.84 HPGD (0.53) HPGDL3MBTL1POLBTSHRALDH1A1
SCHEMBL7964744 0.82 TSHR (0.48) HPGDPOLBTSHRHTTMAPT
SCHEMBL7499190 0.81 HPGD (0.50) HPGDL3MBTL1POLBTSHRHTT
SCHEMBL7964529 0.80 TSHR (0.55) HPGDPOLBTSHRHTTKDM4E
SCHEMBL7964746 0.80 HPGD (0.43) HPGDPOLBTSHRHTTKMT2A
SCHEMBL2438088 0.79 POLB (0.50) HPGDL3MBTL1POLBTSHRHTT
SCHEMBL2438089 0.79 POLB (0.50) HPGDL3MBTL1POLBTSHRHTT
SCHEMBL7975027 0.79 TSHR (0.48) HPGDPOLBTSHRHTTMAPT
SCHEMBL6810549 0.78 L3MBTL1 (0.57) HPGDL3MBTL1POLBTSHRMAPT

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
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO 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 HPGD 40/4885L3MBTL1 3465/4885POLB 2288/4885

“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.