SCHEMBL7977976

SCHEMBL7977976

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KMO O15229 3/20 0.36
HPGD P15428 2/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SRD5A2 P31213 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL7964755 0.90 TSHR (0.40) TSHRKMOHPGDSLC6A2SLC6A4
SCHEMBL11650138 0.81 KMO (0.50) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL11648003 0.78 SLC6A4 (0.40) TSHRKMOHPGDSLC6A4
SCHEMBL16450946 0.78 TSHR (0.49) TSHRHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL11649146 0.76 KMO (0.49) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL7974489 0.75 TSHR (0.43) TSHRKMOHPGDSRD5A2POLB
SCHEMBL12327101 0.75 TSHR (0.52) TSHRKMOHPGDSRD5A2POLB
SCHEMBL7964353 0.75 TSHR (0.47) TSHRKMOHPGDSRD5A2POLB
SCHEMBL11647348 0.75 KMO (0.48) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL12327098 0.74 TSHR (0.44) TSHRKMOHPGDSLC6A4SRD5A2

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 1/4885HPGD 40/4885

“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.