SCHEMBL2806421

SCHEMBL2806421

O=C(O)N1Cc2cnc(N3CCCC3)nc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.46
HSP90AB1 P08238 6/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN11 Q06124 1/20 0.40
OGA O60502 1/20 0.39

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
SCHEMBL2806500 0.89 HSP90AA1 (0.52) HSP90AA1ALDH1A1MAPTHSP90AB1POLB
SCHEMBL2809323 0.87 HSP90AA1 (0.52) HSP90AA1ALDH1A1MAPTHSP90AB1POLB
SCHEMBL30405241 0.77 MAPT (0.52) HSP90AA1MAPTHSP90AB1POLBSMN1; SMN2
SCHEMBL28516998 0.77 MAPT (0.52) HSP90AA1MAPTHSP90AB1POLBSMN1; SMN2
SCHEMBL8207690 0.76 HSP90AA1 (0.43) HSP90AA1HSP90AB1POLB
SCHEMBL15530492 0.75 HSP90AB1 (0.47) HSP90AA1HSP90AB1
SCHEMBL28415218 0.75 HSP90AA1 (0.39) HSP90AA1MAPTHSP90AB1POLB
SCHEMBL21591611 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1POLB
SCHEMBL17624369 0.73 LMNA (0.47) HSP90AA1ALDH1A1MAPTHSP90AB1POLB
SCHEMBL8195614 0.72 HSP90AA1 (0.51) HSP90AA1ALDH1A1MAPTHSP90AB1POLB

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-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HSP90AA1 2838/4885ALDH1A1 302/4885MAPT 4041/4885

“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.