SCHEMBL2431567

SCHEMBL2431567

CCC(C(N)=O)c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.33
NPY2R P49146 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
POLB P06746 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL22610227 0.82 CA1 (0.43) LMNAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL895966 0.82 LMNA (0.40) LMNAALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL1396189 0.79 AKR1C3 (0.35) LMNAGAATHRB
SCHEMBL666127 0.79 PLAU (0.40) P2RX7LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL31741261 0.78 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2432679 0.78 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL666964 0.75 P2RX7 (0.45) P2RX7LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3954421 0.74 DPP8 (0.39) P2RX7LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL4162406 0.74 TRPM8 (0.37) P2RX7LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1483488 0.72 EPHX1 (0.37) P2RX7ALDH1A1KDM4EEPHX1HTT

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 P2RX7 2167/4885LMNA 3449/4885ALDH1A1 1158/4885

“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.