SCHEMBL2434546

SCHEMBL2434546

CCC(C(N)=O)c1cnc(C)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
P2RX7 Q99572 4/20 0.32
LMNA P02545 3/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL29640879 0.83 AKR1C3 (0.42) GAATHRBP2RX7LMNAHTT
SCHEMBL2437157 0.81 ADRA2A (0.39) EPHX1MMP9MMP8MMP13GAA
SCHEMBL2438138 0.79 AKR1C3 (0.42) EPHX1MMP9MMP8MMP13GAA
SCHEMBL29640874 0.79 ESR2 (0.38) GAATHRBLMNAKDM4ECA1
SCHEMBL1747718 0.75 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL15797492 0.75 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL15797447 0.74 FFAR1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL2433223 0.74 HCAR2 (0.41) EPHX1GAATHRBLMNAHTT
SCHEMBL15797776 0.74 TRPM8 (0.33)
SCHEMBL26898446 0.73 ALDH1A1 (0.50) EPHX1MMP9MMP8MMP13LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA EPHX1 248/4885MMP9 1853/4885MMP8 1364/4885

“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.