SCHEMBL6350652

SCHEMBL6350652

COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])[nH]n2)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ABL1 P00519 1/20 0.37
MAPT P10636 6/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.34
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL25449 0.89 MAPK1 (0.57) HPGDMAPK1NPC1POLBRAB9A
SCHEMBL4755850 0.83 MAPK1 (0.51) HPGDMAPK1NPC1POLBRAB9A
SCHEMBL6351798 0.83 MAPK1 (0.43) HPGDMAPK1NPC1POLBRAB9A
SCHEMBL6166312 0.83 HPGD (0.46) HPGDMAPK1KMT2AMEN1L3MBTL1
SCHEMBL6722955 0.76 HPGD (0.46) HPGDMAPK1NPC1POLBRAB9A
SCHEMBL16077518 0.75 HPGD (0.54) HPGDMAPK1POLBRAB9AKMT2A
SCHEMBL14019191 0.74 MAPK1 (0.50) HPGDMAPK1NPC1POLBRAB9A
SCHEMBL14688254 0.73 HPGD (0.46) HPGDMAPK1NPC1POLBRAB9A
SCHEMBL3827239 0.73 POLB (0.48) HPGDNPC1POLBRAB9AKMT2A
SCHEMBL15981916 0.72 HPGD (0.52) HPGDMAPK1KMT2AL3MBTL1MAPT

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-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur TRANSMIT GESELLSCHAFT FUR TECHNOLOGIETRANSFER MBH (DE) 2005-10-27 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-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur PRNP, APP, MAPT HPGD 1476/4885MAPK1 2492/4885NPC1 945/4885

“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.