SCHEMBL17309262

SCHEMBL17309262

Nc1nnc(N[C@@H]2CCN(O)C2)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 14/20 0.47
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ GFER P55789 1/20 0.32

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
SCHEMBL20373254 1.00 GLS (0.47) GLSALDH1A1HPGDMEN1KMT2A
SCHEMBL18946127 0.81 GLS (0.51) GLS
SCHEMBL22006507 0.81 GLS (0.51) GLS
SCHEMBL17664538 0.79 GLS (0.61) GLSALDH1A1HPGDMEN1KMT2A
SCHEMBL17654115 0.79 GLS (0.61) GLSALDH1A1HPGDMEN1KMT2A
SCHEMBL19434609 0.79 GLS (0.61) GLSALDH1A1HPGDMEN1KMT2A
SCHEMBL17664476 0.77 NPC1 (0.41) GLSALDH1A1HPGDKDM4ENPC1
SCHEMBL19434646 0.77 NPC1 (0.41) GLSALDH1A1HPGDKDM4ENPC1
SCHEMBL17654168 0.76 GLS (0.47) GLSSMN1; SMN2HSD11B1
SCHEMBL17654177 0.75 ALDH1A1 (0.59) GLSALDH1A1HPGDMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-05-21 — — US disclosed
US-10040788-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 — — US disclosed
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2018-08-07 — — US disclosed
US-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2017-11-23 — — US disclosed
US-20170197954-A1 1,3,4-Thiadiazole compounds and their use in treating cancer ASTRAZENECA AB (SE) 2017-07-13 — — US disclosed
WO-2017093301-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2017-06-08 — — WO disclosed
WO-2015181539-A1 1, 3, 4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2015-12-03 — — WO 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 (5 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-20170333429-A1 1,3,4-Thiadiazole Compounds and Their Use in Treating Cancer GLS2, GLS, GLRX3 GLS 2/4885ALDH1A1 290/4885HPGD 682/4885
US-10040789-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLRX3 GLS 2/4885ALDH1A1 290/4885HPGD 682/4885
US-10294221-B2 1, 3, 4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS GLS 2/4885ALDH1A1 560/4885HPGD 815/4885
US-20170197954-A1 1,3,4-Thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS GLS 2/4885ALDH1A1 575/4885HPGD 829/4885
US-10040788-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GSS GLS 2/4885ALDH1A1 575/4885HPGD 829/4885

“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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