SCHEMBL351631

SCHEMBL351631

O=C(NC1=CC(=O)C2OC2C1O)c1cc2ccccc2nc1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 1/20 0.57
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
IKBKB O14920 1/20 0.33
F12 P00748 1/20 0.33
KDR P35968 4/20 0.33
MAOB P27338 2/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL352431 0.85 PARK7 (0.56) PARK7MAPTRAB9ASMN1; SMN2MAOB
SCHEMBL353742 0.85 PARK7 (0.54) PARK7MAPTRAB9ASMN1; SMN2MAOB
SCHEMBL351919 0.84 PARK7 (0.50) PARK7HTTATMMAPTRAB9A
SCHEMBL666087 0.84 PARK7 (0.64) PARK7HTTMAPTRAB9ANPC1
SCHEMBL16650067 0.81 PARK7 (0.54) PARK7ATMMAPTRAB9ASMN1; SMN2
SCHEMBL351947 0.80 PARK7 (0.46) PARK7MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL352278 0.80 PARK7 (0.49) PARK7HTTMAPTRAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL353999 0.79 PARK7 (0.46) PARK7
SCHEMBL351801 0.79 PARK7 (0.47) PARK7RAB9ANPC1
SCHEMBL350823 0.79 PARK7 (0.54) PARK7ATMMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US claimed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US claimed
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG PARK7 3327/4885HTT 4538/4885ATM 216/4885

“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.