SCHEMBL16217830

SCHEMBL16217830

O=C(c1cc(-c2ccc(Cl)c(Cl)c2)ncn1)N1CC[C@@H](O)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 17/20 0.56
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EIF4E P06730 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL1938157 0.94 KMO (0.60) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL16217836 0.93 KMO (0.54) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL16217832 0.93 KMO (0.54) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL16210327 0.88 KMO (0.55) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL14742278 0.88 KMO (0.55) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL14741998 0.87 KMO (0.57) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL14758655 0.86 KMO (0.53) KMOSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL1940243 0.85 KMO (0.57) KMOSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1938658 0.85 KMO (0.57) KMOSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2162993 0.85 KMO (0.57) KMOSMN1; SMN2HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-9428464-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-08-30 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 US disclosed
US-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2014-11-06 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-20140329795-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885SMN1; SMN2 1221/4885ALDH1A1 1261/4885

“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.