SCHEMBL18042385

SCHEMBL18042385

Cc1nc2c(Cl)cc(C(=O)[C@H]3C[C@@H]3C(=O)NO)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CHRNA7 P36544 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL18042355 0.87 KMO (0.36) KMOTAS1R3TAS1R1PTGES
SCHEMBL16615463 0.87 KMO (0.50) KMO
SCHEMBL16597495 0.82 KMO (0.33) KMOTAS1R3TAS1R1
SCHEMBL18082499 0.82 KMO (0.34) KMOTAS1R3TAS1R1
SCHEMBL16597689 0.81 KMO (0.36) KMOTAS1R3TAS1R1CHRNA7
SCHEMBL18082497 0.80 KMO (0.33) KMO
SCHEMBL18082502 0.79 TAS1R3 (0.35) KMOTAS1R3TAS1R1
SCHEMBL18042395 0.79 FPR2 (0.34) CHRNA7PTGES
SCHEMBL18042393 0.78 KMO (0.32) KMO
SCHEMBL18082503 0.78 ESR1 (0.39) KMOTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428054-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-01 US disclosed
US-10428054-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-01 US disclosed
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-02 US disclosed
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2018-08-02 US disclosed
US-9884853-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-9884853-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-02-06 US disclosed
US-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-08 US disclosed
US-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-08 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 (3 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-20160257674-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT KMO 1/4885TAS1R3 4596/4885TAS1R1 4705/4885
US-20180215745-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT KMO 1/4885TAS1R3 4596/4885TAS1R1 4705/4885
US-10428054-B2 Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof KMO, KYNU, AADAT KMO 1/4885TAS1R3 4596/4885TAS1R1 4705/4885

“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.