SCHEMBL22101658

SCHEMBL22101658

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 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
SCHEMBL22101613 0.85 ESR1 (0.33) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL22101576 0.85 LMNA (0.39) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL22101610 0.85 ALDH1A1 (0.34) MAPTALDH1A1NPC1RAB9AGAA
SCHEMBL22101951 0.85 — —
SCHEMBL22101670 0.84 MEN1 (0.41) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL22101627 0.84 TPMT (0.33) —
SCHEMBL22101585 0.84 METTL3 (0.34) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL22101983 0.84 CYP19A1 (0.35) MAPTNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL22101577 0.84 ADRA2A (0.33) ALDH1A1CYP3A4
SCHEMBL22101956 0.83 GAA (0.37) KMT2AMEN1L3MBTL1MAPTALDH1A1

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 KMT2A 1051/4885MEN1 902/4885L3MBTL1 450/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU KMT2A 1051/4885MEN1 902/4885L3MBTL1 450/4885

“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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