SCHEMBL18036610

SCHEMBL18036610

Clc1cc(-c2ccncn2)ccc1N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.59
GSK3B P49841 4/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 1/20 0.48
CDC42BPB Q9Y5S2 1/20 0.48
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
DHFR P00374 1/20 0.44
MAP4K4 O95819 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DCLK1 O15075 1/20 0.42
PRKD3 O94806 1/20 0.42
EGFR P00533 1/20 0.42
PRKACA P17612 1/20 0.42
FLT3 P36888 1/20 0.42
FRK P42685 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
SLK Q9H2G2 1/20 0.42

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
SCHEMBL16684108 0.82 ALDH1A1 (0.47) KMOGSK3BROCK2ROCK1CDC42BPB
SCHEMBL19596597 0.78 KMO (0.68) KMOALDH1A1POLBALDH1A3SMN1; SMN2
SCHEMBL30429856 0.77 DCLK1 (0.61) KMOGSK3BALDH1A1MAP4K4CLK4
SCHEMBL2163999 0.77 DCLK1 (0.61) KMOGSK3BALDH1A1MAP4K4CLK4
SCHEMBL27732906 0.76 CHKA (0.55) GSK3BROCK2ROCK1CDC42BPBALDH1A1
SCHEMBL14742033 0.74 CHKA (0.46) GSK3BALDH1A1POLBMAP4K4CLK4
SCHEMBL14742092 0.74 KMO (1.00) KMO
SCHEMBL2406247 0.73 MAP4K4 (0.47) KMOGSK3BMAP4K4CLK4DCLK1
SCHEMBL14742422 0.72 CAMKK2 (0.53) KMOGSK3BMAP4K4CLK4DCLK1
SCHEMBL14663422 0.71 KMO (0.69) KMOALDH1A1POLB

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-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 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-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885GSK3B 627/4885ROCK2 3110/4885

“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.