SCHEMBL22101613

SCHEMBL22101613

CN/C(S)=N/N=C(C)/C(=N/N=C(\S)NC)c1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ CA3 P07451 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ CA4 P22748 1/20 0.31

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
SCHEMBL22101610 0.87 ALDH1A1 (0.34) MAPTGAAALDH1A1LMNACYP2D6
SCHEMBL22101576 0.87 LMNA (0.39) MAPTGAAALDH1A1KDM4EHTT
SCHEMBL22101951 0.87 — —
SCHEMBL22101652 0.85 KMT2A (0.39) MAPTGAAKDM4EHTTMEN1
SCHEMBL22101658 0.85 KMT2A (0.33) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL22101627 0.85 TPMT (0.33) —
SCHEMBL22101577 0.85 ADRA2A (0.33) ALDH1A1TP53CYP3A4ALOX15HIF1A
SCHEMBL22101585 0.85 METTL3 (0.34) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL22101668 0.85 TSHR (0.39) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL22101956 0.85 GAA (0.37) MAPTGAAALDH1A1KDM4EHTT

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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2023-06-08 — — US disclosed
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2020-06-18 — — 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 (2 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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ESR1 1937/4885MAPT 343/4885GAA 154/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ESR1 1937/4885MAPT 343/4885GAA 154/4885

“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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