SCHEMBL22101609

SCHEMBL22101609

CN/C(S)=N/N=C(C(=N/N=C(\S)NC)/c1ccc(Cl)cc1)\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ NR4A1 P22736 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL22101954 0.90 GAA (0.37) POLBCES1LMNAMEN1KMT2A
SCHEMBL22101997 0.85 ESR1 (0.41) CES2LMNAMEN1KMT2AALDH1A1
SCHEMBL22101576 0.85 LMNA (0.39) POLBCES2CES1LMNAMEN1
SCHEMBL22101637 0.85 GAA (0.33) POLBLMNAGAAALDH1A1NPSR1
SCHEMBL22101605 0.84 MEN1 (0.36) POLBLMNAMEN1KMT2AL3MBTL1
SCHEMBL22101640 0.84 TSHR (0.45) POLBCES2CES1LMNAMEN1
SCHEMBL22101672 0.84 ITGA1 (0.36) GAAALDH1A1NPSR1
SCHEMBL22101670 0.84 MEN1 (0.41) LMNAMEN1KMT2AALDH1A1NPC1
SCHEMBL22101642 0.84 TSHR (0.41) POLBLMNAMEN1KMT2AL3MBTL1
SCHEMBL22101956 0.83 GAA (0.37) POLBCES2CES1LMNAMEN1

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 POLB 1445/4885CES2 701/4885CES1 3720/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU POLB 1445/4885CES2 701/4885CES1 3720/4885

“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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