SCHEMBL16217845

SCHEMBL16217845

O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.56
TAS1R3 Q7RTX0 8/20 0.54
TAS1R1 Q7RTX1 8/20 0.54
TAS1R2 Q8TE23 7/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.53
DHODH Q02127 1/20 0.52
HTT P42858 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL14758622 1.00 KMO (0.56) KMOTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL16217844 0.94 KMO (0.58) KMOTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL14742516 0.79 KMO (0.57) KMOCNR1CNR2
SCHEMBL29563786 0.75 HTT (0.65) TAS1R3TAS1R1TAS1R2ALDH1A1TSHR
SCHEMBL30429275 0.74 KMO (0.58) KMOCNR2
SCHEMBL16217834 0.74 KMO (0.58) KMOCNR2
SCHEMBL30428213 0.73 KMO (0.55) KMO
SCHEMBL14758623 0.73 KMO (0.55) KMO
SCHEMBL16794033 0.73 ALDH1A1 (0.43) KMOTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3101304 0.73 ALDH1A1 (0.67) TAS1R3TAS1R1TAS1R2ALDH1A1TSHR

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 1/4885TAS1R3 4744/4885TAS1R1 4801/4885

“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.