SCHEMBL23635741

SCHEMBL23635741

CC(C)(C)Cc1ccc(Cn2cc(CNC(=O)C(C)(C)C)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HSP90AB1 P08238 2/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL23635743 0.89 HDAC1 (0.47) HDAC1NOTUM
SCHEMBL23945848 0.78 GBA1 (0.44)
SCHEMBL21992355 0.77 MAPT (0.39)
SCHEMBL16576128 0.77 FNTA (0.36) HDAC1NOTUM
SCHEMBL3700435 0.75 HDAC1 (0.57) HDAC1HSP90AB1
SCHEMBL30061993 0.73 KDM1A (0.56) HDAC1HSP90AB1
SCHEMBL9889152 0.72 MAPT (0.39) NOTUM
SCHEMBL12205813 0.70 CYP19A1 (0.65) HSP90AB1
SCHEMBL10448091 0.70 HSP90AB1 (0.57) HSP90AB1NOTUM
SCHEMBL23696408 0.70 ADRB2 (0.40)

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-20210214382-A1 Method for Preparing 3'-O-Amino-2'-Deoxyribonucleoside-5'-Triphosphate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-07-15 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-20210214382-A1 Method for Preparing 3'-O-Amino-2'-Deoxyribonucleoside-5'-Triphosphate NUDT1, TYMP, NT5C3B HDAC1 4297/4885HSP90AB1 2911/4885NOTUM 2838/4885

“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.