SCHEMBL22101985

SCHEMBL22101985

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PLA2G10 O15496 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ PARP10 Q53GL7 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22101640 0.88 TSHR (0.45) POLBCYP2C19TSHRGAAALDH1A1
SCHEMBL22101954 0.87 GAA (0.37) POLBCYP2C19L3MBTL1CYP3A4MAPT
SCHEMBL22101995 0.86 LMNA (0.45) POLBL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL22101589 0.85 NOS1 (0.40) POLBCYP2C19L3MBTL1CYP3A4PARP1
SCHEMBL22101605 0.84 MEN1 (0.36) POLBCYP2C19L3MBTL1CYP3A4MAPT
SCHEMBL22101637 0.83 GAA (0.33) POLBCYP2C19TDP1GAAALDH1A1
SCHEMBL22101997 0.83 ESR1 (0.41) CYP3A4MAPTALDH1A1LMNAKMT2A
SCHEMBL22101991 0.81 KMT2A (0.37) POLBL3MBTL1MAPTTDP1ALDH1A1
SCHEMBL22101670 0.81 MEN1 (0.41) CYP2C19CYP3A4MAPTBLMTDP1
SCHEMBL22101642 0.81 TSHR (0.41) POLBCYP2C19L3MBTL1MAPTTSHR

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 1445/4885CYP2C19 2835/4885L3MBTL1 450/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU POLB 1445/4885CYP2C19 2835/4885L3MBTL1 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.

Send feedback