SCHEMBL5528501

SCHEMBL5528501

Sc1nc2c(Cl)nccc2s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL3193823 0.77 NPC1 (0.45) ALDH1A1LMNAMAPTMAPK1
SCHEMBL30537878 0.77 LMNA (0.55) ALDH1A1LMNACYP3A4MAPTPDE10A
SCHEMBL18899026 0.73 ACACB (0.37) ALDH1A1LMNACYP3A4MAPTAPEX1
SCHEMBL17031856 0.73 CASR (0.31) ALDH1A1
SCHEMBL17040409 0.73 NPC1 (0.43) ALDH1A1MAPK1
SCHEMBL28577953 0.72 KDM4E (0.41) ALDH1A1LMNAMAPT
SCHEMBL24402005 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3096248 0.71 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1PDE10A
SCHEMBL6175735 0.71 MEN1 (0.56) ALDH1A1LMNAMAPTMAPK1PDE10A
SCHEMBL28577760 0.70 ADORA2A (0.45)

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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 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-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 2219/4885LMNA 4007/4885CYP3A4 2493/4885

“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.