SCHEMBL22031485

SCHEMBL22031485

O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)s2)s1)C1C[C@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.63
▸ GLS O94925 18/20 0.60
▸ NAMPT P43490 1/20 0.52

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
SCHEMBL21484156 1.00 HTT (0.63) HTTGLSNAMPT
SCHEMBL19920040 1.00 HTT (0.63) HTTGLSNAMPT
SCHEMBL15042353 1.00 HTT (0.63) HTTGLSNAMPT
SCHEMBL15480832 1.00 HTT (0.63) HTTGLSNAMPT
SCHEMBL17083646 1.00 HTT (0.63) HTTGLSNAMPT
SCHEMBL22031486 0.95 HTT (0.61) HTTGLS
SCHEMBL21466309 0.95 HTT (0.61) HTTGLS
SCHEMBL15782607 0.93 GLS (0.64) HTTGLS
SCHEMBL14987275 0.93 GLS (0.64) HTTGLS
SCHEMBL16379552 0.89 HTT (0.62) HTTGLS

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-20200165238-A1 Heterocyclic Inhibitors of Glutaminase CALITHERA BIOSCIENCES INC. 2020-05-28 — — 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-20200165238-A1 Heterocyclic Inhibitors of Glutaminase GLS, GLS2, GLUL HTT 301/4885GLS 1/4885NAMPT 120/4885

“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.

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