SCHEMBL21037211

SCHEMBL21037211

CC(C)Cc1cc2ccnnc2cn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TLR7 Q9NYK1 1/20 0.31
AKT1 P31749 2/20 0.31
ESR1 P03372 1/20 0.30
DDX3X O00571 1/20 0.30

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
SCHEMBL21037205 0.79 PDE10A (0.36) PDE10ANOS3NOS1NOS2ESR1
SCHEMBL12702786 0.75 GRM4 (0.33)
SCHEMBL19386401 0.73 MAPT (0.41) PDE10ANOS3NOS1NOS2AKT1
SCHEMBL19386404 0.73 GABRA1 (0.40) PDE10AAKT1ESR1
SCHEMBL21037212 0.72 NOS3 (0.39) PDE10ANOS3NOS1NOS2ESR1
SCHEMBL7991401 0.72 CYP1A2 (0.45) PDE10A
SCHEMBL3122540 0.70 ATM (0.51) PDE10ANOS3NOS1NOS2TLR7
SCHEMBL18417280 0.70 GABRA1 (0.40) ESR1
SCHEMBL24357972 0.69 NPC1 (0.46) PDE10A
SCHEMBL21037206 0.68 ABL1 (0.33) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2019-05-30 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 (2 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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB PDE10A 970/4885NOS3 243/4885NOS1 439/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB PDE10A 970/4885NOS3 243/4885NOS1 439/4885

“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.