SCHEMBL7901099

SCHEMBL7901099

[C-]#[N+]c1c(SC)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
XDH P47989 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
TNKS O95271 4/20 0.45
TNKS2 Q9H2K2 4/20 0.45
PARP1 P09874 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ERCC1 P07992 2/20 0.41
FEN1 P39748 2/20 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
SCHEMBL8380313 0.74 HPGD (0.65) MAPTKDM4ETDP1XDHMEN1
SCHEMBL9543700 0.71 SMN1; SMN2 (0.64) MAPTKDM4ETDP1XDHMEN1
SCHEMBL7900996 0.68 TSHR (0.48) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL7496014 0.65 POLB (0.72) MAPTKDM4EXDHMEN1KMT2A
SCHEMBL7899634 0.65 MEN1 (0.45) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL8676878 0.64 POLB (0.64) MAPTKDM4EXDHMEN1KMT2A
SCHEMBL258433 0.63 TNKS (1.00) MAPTKDM4ETNKSTNKS2PARP1
SCHEMBL29592833 0.63 TNKS (1.00) MAPTKDM4ETNKSTNKS2PARP1
SCHEMBL8677297 0.63 POLB (0.50) MAPTKDM4EXDHMEN1KMT2A
SCHEMBL8677311 0.63 POLB (0.50) MAPTKDM4EXDHMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S MAPT 699/4885KDM4E 1998/4885TDP1 443/4885

“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.