SCHEMBL610441

SCHEMBL610441

NC(=O)Oc1cc[c]c2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 8/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.37
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.36
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1098748 0.76 PDE10A (0.41) LMNAKDM4EHSP90AA1GAAMEN1
SCHEMBL111242 0.74 LMNA (0.65) LMNAMETAP2METAP1HDAC6KDM4E
Carbamic Acid SCHEMBL28080599 0.73 LMNA (0.68) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL611979 0.70 KDM4E (0.50) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL611980 0.70 KDM4E (0.50) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL28453502 0.70 KDM4E (0.54) KDM4ECYP3A4ALOX12TDP1HSP90AA1
SCHEMBL144184 0.70 METAP2 (0.48) LMNAMETAP2METAP1KDM4ECYP3A4
SCHEMBL8391499 0.70 MAPT (0.42) LMNAKDM4ECYP3A4TDP1HSP90AA1
SCHEMBL5206688 0.68 RAB9A (0.41) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL19475045 0.68 MEN1 (0.39) LMNAMETAP2METAP1HDAC6KDM4E

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-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A LMNA 3933/4885METAP2 263/4885METAP1 171/4885

“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.