SCHEMBL22101954

SCHEMBL22101954

CN/C(S)=N/N=C(C(=N/N=C(\S)NC)/c1ccccc1)\c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA13 Q8N1Q1 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL22101637 0.91 GAA (0.33) GAATDP1NPSR1CA12CA1
SCHEMBL22101997 0.91 ESR1 (0.41) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL22101670 0.90 MEN1 (0.41) TDP1ATMCYP2C19LMNASMN1; SMN2
SCHEMBL22101605 0.90 MEN1 (0.36) GAATDP1NPSR1CYP2C19LMNA
SCHEMBL22101991 0.90 KMT2A (0.37) TDP1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL22101640 0.90 TSHR (0.45) GAACA12CA1CA2CA3
SCHEMBL22101642 0.90 TSHR (0.41) GAATDP1NPSR1CA12CA1
SCHEMBL22101609 0.90 POLB (0.44) GAANPSR1LMNAL3MBTL1TSHR
SCHEMBL22101672 0.90 ITGA1 (0.36) GAATDP1NPSR1CA12CA1
SCHEMBL22101956 0.89 GAA (0.37) GAATDP1NPSR1CA12CA1

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 GAA 154/4885TDP1 646/4885NPSR1 4197/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU GAA 154/4885TDP1 646/4885NPSR1 4197/4885

“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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