SCHEMBL68498

SCHEMBL68498

Nc1ncnc2c1c(C#CCNC(=O)CCC1SCC3NC(=O)NC31)cn2C[C@@H]1O[C@H](CN2CC2)C(O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.42
HLCS P50747 3/20 0.39
BTK Q06187 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL66669 0.91 HINT1 (0.48) HINT1HLCS
SCHEMBL19982838 0.71 HLCS (0.49) HINT1HLCS
SCHEMBL22897369 0.70 HLCS (0.47) HINT1HLCS
SCHEMBL67110 0.70 ADK (0.42)
SCHEMBL19983263 0.70 PLCD1 (0.43) HLCSBTKTDP1
SCHEMBL22192980 0.69 HLCS (0.46) HINT1HLCSTDP1
SCHEMBL29592014 0.69 PLCD1 (0.44) HINT1HLCSBTKTDP1
SCHEMBL12450063 0.67 ADK (0.48)
SCHEMBL20129498 0.66 FGF1 (0.51) HINT1HLCSTDP1
SCHEMBL20129628 0.66 FGF1 (0.51) HINT1HLCSTDP1

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-8129106-B2 Sequence-specific detection of methylation in biomolecules Max-Planck-Geselischaft zur Forderung der Wissenschaften E.V. (DE) 2012-03-06 US disclosed
US-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-07-07 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-20110165564-A1 SEQUENCE-SPECIFIC DETECTION OF METHYLATION IN BIOMOLECULES DNMT1, MAT2B, AHCY HINT1 273/4885HLCS 593/4885BTK 3771/4885

“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.