SCHEMBL16217822

SCHEMBL16217822

O=C(Nc1cccnc1)c1cc(-c2ccc(Cl)c(F)c2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.61
CYP11B2 P19099 4/20 0.51
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.49
CYP11B1 P15538 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK7 Q13164 1/20 0.47
MAPK14 Q16539 1/20 0.47
CSF1R P07333 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46

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
SCHEMBL30429048 1.00 KMO (0.61) KMOCYP11B2TDP1LMNACYP11B1
SCHEMBL1938803 0.91 KMO (0.61) KMOCYP11B2TDP1LMNACYP11B1
SCHEMBL30429024 0.91 KMO (0.61) KMOCYP11B2TDP1LMNACYP11B1
SCHEMBL30429279 0.91 CYP11B2 (0.59) KMOCYP11B2TDP1LMNACYP11B1
SCHEMBL1939132 0.91 CYP11B2 (0.59) KMOCYP11B2TDP1LMNACYP11B1
SCHEMBL1937820 0.90 KMO (0.76) KMOCYP11B2CYP11B1TP53MAPT
SCHEMBL14742040 0.85 MAPT (0.62) KMOCYP11B2LMNACYP11B1TP53
SCHEMBL30428237 0.85 MAPT (0.62) KMOCYP11B2LMNACYP11B1TP53
SCHEMBL16217899 0.85 NPC1 (0.63) KMOCYP11B2TP53MEN1KMT2A
SCHEMBL1938798 0.84 KMO (0.58) KMOCYP11B2TDP1LMNACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323583-A Heterobiaryl compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-06-23 CN 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-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 1/4885CYP11B2 188/4885TDP1 496/4885

“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.