SCHEMBL7964746

SCHEMBL7964746

CON(C)C(=O)CCC(=N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
TSHR P16473 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CDK8 P49336 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCL12 P48061 1/20 0.36
SRD5A2 P31213 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2435844 0.80 SLC6A4 (0.44) HPGDTSHRSLC6A3SLC6A2SLC6A4
SCHEMBL2435842 0.80 SLC6A4 (0.44) HPGDTSHRSLC6A3SLC6A2SLC6A4
SCHEMBL7977632 0.80 HPGD (0.50) HPGDTSHRALDH1A1KMT2APOLB
SCHEMBL7964744 0.77 TSHR (0.48) HPGDTSHRKMT2ASRD5A2POLB
SCHEMBL2655175 0.76 SLC6A3 (0.54) HPGDTSHRSLC6A3SLC6A2SLC6A4
SCHEMBL7964529 0.76 TSHR (0.55) HPGDTSHRSRD5A2POLBHTT
SCHEMBL14829339 0.75 CDK8 (0.61) TSHRSLC6A3CDK8CLK4ALDH1A1
SCHEMBL7980416 0.74 L3MBTL1 (0.58) HPGDTSHRKMT2APOLBHTT
SCHEMBL7975027 0.74 TSHR (0.48) HPGDTSHRKMT2ASRD5A2POLB
SCHEMBL14830297 0.73 CDK8 (0.52) TSHRSLC6A3SLC6A2SLC6A4CDK8

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 HPGD 40/4885TSHR 4092/4885SLC6A3 603/4885

“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.