SCHEMBL14742178

SCHEMBL14742178

Cc1cnc(C(=O)O)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 13/20 0.59
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
RPA1 P27694 1/20 0.43
EIF4E P06730 1/20 0.43
PPP1CA P62136 1/20 0.43
MAP4K4 O95819 1/20 0.43
DDT P30046 1/20 0.43
SLC22A12 Q96S37 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
SCHEMBL25202889 0.80 DDT (0.51) KMOMAP4K4DDT
SCHEMBL4780370 0.80 KMO (0.68) KMOPPP1CAMAP4K4
SCHEMBL23365594 0.77 MAP3K5 (0.44) KMOMAP4K4DDTSLC22A12
SCHEMBL935259 0.76 KMO (0.51) KMOMAP4K4
SCHEMBL3355376 0.74 KMO (1.00) KMOPPP1CA
SCHEMBL2744901 0.74 TSHR (0.59) KMOAKR1C3AKR1C2EIF4E
Hydrochloric Acid SCHEMBL1939238 0.73 KMO (0.97) KMOPPP1CA
SCHEMBL20594053 0.73 KMO (0.59) KMOMAP4K4
SCHEMBL30680252 0.73 KMO (0.59) KMOMAP4K4
SCHEMBL1759951 0.72 KMO (0.47) KMOMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518845-A Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI基金会股份有限公司 2017-03-22 CN claimed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US claimed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP claimed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO claimed
EP-3243515-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-10-16 EP disclosed
CN-106518845-B Kynurenin -3- monooxygenase inhibitor, pharmaceutical composition and its application method CHDI基金会股份有限公司 2019-09-13 CN disclosed
US-9981918-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-05-29 US disclosed
EP-3243515-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-11-15 EP disclosed
EP-2750677-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2017-03-22 EP disclosed
CN-106518845-A Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI基金会股份有限公司 2017-03-22 CN disclosed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US disclosed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP disclosed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 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-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO KMO 1/4885AKR1C3 211/4885AKR1C2 321/4885

“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.