SCHEMBL6208465

SCHEMBL6208465

Cc1nc2c(nc1C(=O)O)CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
POLB P06746 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SLC9A1 P19634 1/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
TP53 P04637 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 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
SCHEMBL14734389 0.83 KDM4E (0.38) KDM4EPOLBMAPTL3MBTL1TDP1
SCHEMBL14734431 0.77 KDM4E (0.38) KDM4EPOLBMAPTL3MBTL1TDP1
SCHEMBL2168269 0.77 CA12 (0.42) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL3860724 0.75 KDM4E (0.39) KDM4EPOLBMAPTL3MBTL1TDP1
SCHEMBL30681950 0.75 TDP1 (0.38) KDM4EPOLBMAPTL3MBTL1TDP1
Water SCHEMBL28571228 0.74 CA12 (0.41) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL11596190 0.74 CA12 (0.41) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL2539130 0.74 NPC1 (0.52) KDM4EPOLBMAPTL3MBTL1TDP1
SCHEMBL2406851 0.73 POLB (0.36) KDM4EPOLBMAPTL3MBTL1TDP1
SCHEMBL9621309 0.73 NPC1 (0.43) KDM4EPOLBMAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004130-A1 New metabotropic glutamate receptor compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2005-01-06 US claimed
EP-1587796-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS AstraZeneca AB (SE) 2005-10-26 EP disclosed
US-20050004130-A1 New metabotropic glutamate receptor compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004069813-A1 SATURATED QUINOXALINE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2004-08-19 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-20050004130-A1 New metabotropic glutamate receptor compounds GRM1, GRIN1, GRM2 KDM4E 3065/4885POLB 3426/4885MAPT 1438/4885

“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.