SCHEMBL6001641

SCHEMBL6001641

O=C(c1ccc([N+](=O)[O-])cc1)c1cc2cc3ccccc3cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
DYRK1A Q13627 4/20 0.49
CLK1 P49759 3/20 0.49
DYRK1B Q9Y463 3/20 0.49
CES1 P23141 2/20 0.46
SRD5A2 P31213 2/20 0.46
CES2 O00748 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HSD17B1 P14061 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL23041056 0.89 DYRK1A (0.58) POLBMAPK1DYRK1ACLK1DYRK1B
SCHEMBL6001679 0.84 DYRK1A (0.67) MAPK1DYRK1ACLK1DYRK1BLMNA
SCHEMBL10514999 0.82 DYRK1A (0.65) POLBMAPK1DYRK1ACLK1DYRK1B
SCHEMBL6001663 0.79 CNR2 (0.51) DYRK1ACLK1DYRK1BMAOBLMNA
SCHEMBL6000839 0.73 CYP1A2 (0.54) DYRK1ACLK1DYRK1BGAAHSD17B1
SCHEMBL6001482 0.72 ERO1A (0.47) POLBMAPK1CES1SRD5A2CES2
SCHEMBL229627 0.71 POLB (0.82) POLBMAPK1CES1SRD5A2CES2
Benzophenone SCHEMBL28231509 0.71 POLB (0.82) POLBMAPK1CES1SRD5A2CES2
SCHEMBL31232930 0.71 ALDH1A1 (0.54) POLBLMNAGAAALDH1A1MAPT
SCHEMBL9523531 0.71 ALDH1A1 (0.54) POLBLMNAGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 POLB 1759/4885MAPK1 1284/4885DYRK1A 3249/4885

“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.