SCHEMBL7964353

SCHEMBL7964353

N=C(CCCC(N)=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
KMO O15229 3/20 0.43
BCAT2 O15382 1/20 0.43
SRD5A2 P31213 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.39

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
SCHEMBL7975027 0.92 TSHR (0.48) TSHRKMOBCAT2SRD5A2MEN1
SCHEMBL12327101 0.87 TSHR (0.52) TSHRKMOSRD5A2HPGDPOLB
SCHEMBL4609783 0.83 KMO (0.53) TSHRKMOBCAT2SRD5A2KDM4E
SCHEMBL7980416 0.81 L3MBTL1 (0.58) TSHRMEN1KMT2AHPGDPOLB
SCHEMBL7974489 0.80 TSHR (0.43) TSHRKMOSRD5A2HPGDPOLB
SCHEMBL16450946 0.79 TSHR (0.49) TSHRHPGDHTTNPFFR2
SCHEMBL7964529 0.79 TSHR (0.55) TSHRKMOSRD5A2HPGDPOLB
SCHEMBL12327098 0.79 TSHR (0.44) TSHRKMOSRD5A2HPGDPOLB
SCHEMBL7964744 0.78 TSHR (0.48) TSHRKMOSRD5A2MEN1KMT2A
SCHEMBL8072291 0.77 KMO (0.54) TSHRKMOBCAT2SRD5A2KDM4E

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 4092/4885KMO 1/4885BCAT2 622/4885

“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.