SCHEMBL5552863

SCHEMBL5552863

[c]1ccc(-c2c[nH]c3ccccc23)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.49
MAPK1 P28482 2/20 0.49
NR4A2 P43354 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GAA P10253 1/20 0.43
ELANE P08246 2/20 0.43

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
SCHEMBL699524 0.80 IMPDH2 (0.46) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL19991846 0.80 IMPDH2 (0.46) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL1781166 0.80 IMPDH2 (0.62) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL16720632 0.79 IMPDH2 (0.42) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL28827672 0.79 ATM (0.50) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL9785183 0.79 NR4A2 (0.50) IMPDH2MAPK1NR4A2HSD17B10MAPT
3-Phenylindole SCHEMBL29609072 0.79 IMPDH2 (0.71) IMPDH2MAPK1NR4A2HSD17B10MAPT
3-Phenylindole SCHEMBL84056 0.79 IMPDH2 (0.71) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL3132122 0.79 IMPDH2 (0.53) IMPDH2MAPK1NR4A2HSD17B10MAPT
SCHEMBL618853 0.75 BACE1 (0.39) MAPK1HSD17B10TDP1ALDH1A1GPR55

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-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US claimed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO claimed
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF IMPDH2 3881/4885MAPK1 2402/4885NR4A2 2800/4885

“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.