SCHEMBL7964180

SCHEMBL7964180

N=C(CCC(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 5/20 0.45
SLC6A2 P23975 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL7980593 0.85 TSHR (0.44) HPGDKMT2AALDH1A1PKMHSD11B1
SCHEMBL7977776 0.84 ALDH1A1 (0.47) HPGDL3MBTL1KMT2AMEN1RAB9A
SCHEMBL7974019 0.81 TSHR (0.42) HPGDKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL2432536 0.77 HPGD (0.50) HPGDL3MBTL1KMT2AMEN1RAB9A
SCHEMBL2432533 0.77 HPGD (0.50) HPGDL3MBTL1KMT2AMEN1RAB9A
SCHEMBL7964529 0.76 TSHR (0.55) HPGDKDM4EHTTHSD11B1
SCHEMBL6280995 0.76 HPGD (0.96) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL7975027 0.74 TSHR (0.48) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL7964744 0.74 TSHR (0.48) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL13342864 0.74 NPC1 (0.59) HPGDKMT2ANPC1ALDH1A1TDP1

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 40/4885L3MBTL1 3465/4885KMT2A 140/4885

“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.