SCHEMBL7964347

SCHEMBL7964347

CS(=O)(=O)NCCC(=N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.43
▸ GRIN1 Q05586 4/20 0.42
▸ GRIN2B Q13224 4/20 0.42
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL2432944 0.77 SLC6A4 (0.44) SCN9AGRIN1GRIN2BHPGDPOLB
SCHEMBL2432947 0.77 SLC6A4 (0.44) SCN9AGRIN1GRIN2BHPGDPOLB
SCHEMBL7974731 0.76 MAPT (0.47) HPGDPOLBHTTALDH1A1MEN1
SCHEMBL7964744 0.73 TSHR (0.48) HPGDPOLBHTTMEN1KMT2A
SCHEMBL7977632 0.73 HPGD (0.50) HPGDPOLBHTTALDH1A1MEN1
SCHEMBL7964529 0.71 TSHR (0.55) HPGDPOLBHTTTSHRHSD11B1
SCHEMBL16450946 0.71 TSHR (0.49) HPGDHTTALDH1A1TSHR
SCHEMBL12327098 0.71 TSHR (0.44) GRIN2BHPGDPOLBHTTTSHR
SCHEMBL7980416 0.71 L3MBTL1 (0.58) HPGDPOLBHTTMEN1KMT2A
SCHEMBL12327067 0.70 HDAC4 (0.41) HPGDPOLBHTTMEN1KMT2A

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 2 patents. 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
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 — — WO 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 SCN9A 4039/4885GRIN1 66/4885GRIN2B 78/4885

“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.

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