SCHEMBL7964755

SCHEMBL7964755

N#CCCC(=N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ABL1 P00519 2/20 0.38
SRD5A2 P31213 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
KMO O15229 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7977976 0.90 TSHR (0.38) TSHRABL1SRD5A2HPGDPOLB
SCHEMBL8073597 0.79 KMO (0.49) TSHRABL1SRD5A2HPGDPOLB
SCHEMBL12327098 0.77 TSHR (0.44) TSHRSRD5A2HPGDPOLBHTT
SCHEMBL16450946 0.74 TSHR (0.49) TSHRHPGDHTTALDH1A1NPFFR2
SCHEMBL7964529 0.74 TSHR (0.55) TSHRSRD5A2HPGDPOLBHTT
SCHEMBL11650138 0.73 KMO (0.50) TSHRHPGDKMOSLC6A4SLC6A3
SCHEMBL12327067 0.72 HDAC4 (0.41) TSHRSRD5A2HPGDPOLBHTT
SCHEMBL7975027 0.72 TSHR (0.48) TSHRSRD5A2HPGDPOLBHTT
SCHEMBL7964744 0.72 TSHR (0.48) TSHRSRD5A2HPGDPOLBHTT
SCHEMBL11649146 0.72 KMO (0.49) TSHRHPGDKMOSLC6A4SLC6A3

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 4092/4885ABL1 2202/4885SRD5A2 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.