SCHEMBL7964744

SCHEMBL7964744

CC(=O)CCC(=N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HPGD P15428 3/20 0.44
SRD5A2 P31213 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
KMO O15229 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL7964529 0.84 TSHR (0.55) TSHRHPGDSRD5A2POLBHTT
SCHEMBL7975027 0.83 TSHR (0.48) TSHRHPGDSRD5A2MEN1KMT2A
SCHEMBL2435064 0.82 KDM4E (0.57) TSHRHPGDSMN1; SMN2KMOKDM4E
SCHEMBL7977632 0.82 HPGD (0.50) TSHRHPGDMEN1KMT2APOLB
SCHEMBL7974984 0.80 TSHR (0.46) TSHRHPGDSRD5A2MEN1KMT2A
SCHEMBL24403927 0.79 TSHR (0.48) TSHRHPGDSRD5A2MEN1KMT2A
SCHEMBL12327101 0.78 TSHR (0.52) TSHRHPGDSRD5A2POLBHTT
SCHEMBL7964353 0.78 TSHR (0.47) TSHRHPGDSRD5A2MEN1KMT2A
SCHEMBL7964746 0.77 HPGD (0.43) TSHRHPGDSRD5A2KMT2APOLB
SCHEMBL16450946 0.77 TSHR (0.49) TSHRHPGDHTTHDAC3HDAC4

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 TSHR 4092/4885HPGD 40/4885SRD5A2 1168/4885

“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.