SCHEMBL2434418

SCHEMBL2434418

CCC(C(N)=O)c1ccc(C)nn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMO O15229 1/20 0.30
HTT P42858 2/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2436106 0.75 P2RX7 (0.41) EPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL1852826 0.75 ADRA2A (0.39) ALDH1A1MAPT
SCHEMBL1850641 0.72 POLB (0.34) POLBALDH1A1L3MBTL1HTTMAPT
SCHEMBL9665247 0.71 HTT (0.40) POLBNPSR1ALDH1A1TSHRL3MBTL1
SCHEMBL2437157 0.71 ADRA2A (0.39) EPHX1TSHRMAPTSMN1; SMN2
SCHEMBL4782064 0.70 APLNR (0.47) KMO
SCHEMBL27964764 0.69 KMO (0.36) ALDH1A1TSHRL3MBTL1KMOSMN1; SMN2
SCHEMBL31741261 0.69 ALDH1A1 (0.50) NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL2432679 0.69 ALDH1A1 (0.50) NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL15796765 0.69

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 248/4885POLB 2288/4885NPSR1 1059/4885

“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.