SCHEMBL16385031

SCHEMBL16385031

O=C(CC1CCCNC1)Nc1nnc(CCCc2nnc(NC(=O)CC3CCCNC3)s2)s1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 14/20 0.67
▸ ALDH1A1 P00352 3/20 0.49
▸ CA2 P00918 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14987258 0.98 GLS (0.70) GLSALDH1A1CA2HSD17B10SMN1; SMN2
SCHEMBL21484237 0.93 GLS (0.68) GLSALDH1A1CA2HSD17B10SMN1; SMN2
SCHEMBL14987278 0.90 GLS (0.72) GLSALDH1A1
SCHEMBL16384868 0.85 GLS (0.78) GLSALDH1A1CA2
SCHEMBL21368592 0.84 GLS (0.53) GLSALDH1A1HSD17B10
SCHEMBL14987001 0.83 GLS (0.89) GLSALDH1A1CA2HSD17B10SMN1; SMN2
SCHEMBL15727744 0.83 GLS (0.89) GLSALDH1A1CA2HSD17B10SMN1; SMN2
SCHEMBL14987262 0.83 GLS (0.82) GLSALDH1A1CA2
SCHEMBL14986949 0.81 GLS (1.00) GLSALDH1A1CA2
SCHEMBL19920149 0.78 GLS (0.56) GLS

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-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2015-01-01 — — 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-20150004134-A1 TREATMENT OF CANCER WITH HETEROCYCLIC INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL GLS 1/4885ALDH1A1 263/4885CA2 736/4885

“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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