SCHEMBL26041570

SCHEMBL26041570

CC(C)c1nccn1CCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 1/20 0.42
NMT1 P30419 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL20569447 0.84 TDP1 (0.45) SMN1; SMN2TDP1
SCHEMBL20572275 0.81 KCNH2 (0.50) SMN1; SMN2NMT1
SCHEMBL9341301 0.80 TDP1 (0.58) SMN1; SMN2TDP1
SCHEMBL20570528 0.79 FFAR1 (0.42)
SCHEMBL8541622 0.78 GRIN2B (0.52) SIGMAR1
SCHEMBL25067265 0.78 TLR8 (0.59) SMN1; SMN2NMT1TDP1
SCHEMBL27507350 0.78 CYP3A4 (0.43) SIGMAR1TDP1
SCHEMBL24127752 0.77 SMN1; SMN2 (0.49) SMN1; SMN2TDP1
SCHEMBL10419080 0.77 SMN1; SMN2 (0.51) SMN1; SMN2TDP1
SCHEMBL5824074 0.76 TLR8 (0.57) SMN1; SMN2NMT1TDP1

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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC 2023-07-20 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-20230227466-A1 SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE KRAS, G3BP1, NRAS SMN1; SMN2 3947/4885SIGMAR1 4803/4885NMT1 2496/4885

“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.