SCHEMBL22101995

SCHEMBL22101995

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 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

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 0.89 TSHR (0.45) LMNASMN1; SMN2NPC1CA12CA9
SCHEMBL22101954 0.88 GAA (0.37) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL22101985 0.86 POLB (0.48) LMNASMN1; SMN2MAPTCA12CA9
SCHEMBL22101652 0.86 KMT2A (0.39) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL22101785 0.85 ALDH1A1 (0.56) SMN1; SMN2MAPTNPC1RAB9ATAAR1
SCHEMBL22101997 0.84 ESR1 (0.41) LMNAMAPTRAB9AALDH1A1KMT2A
SCHEMBL22101637 0.84 GAA (0.33) LMNACA12CA9HPGDALDH1A1
SCHEMBL22101609 0.83 POLB (0.44) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL22101642 0.83 TSHR (0.41) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL22101605 0.83 MEN1 (0.36) LMNASMN1; SMN2MAPTNPC1RAB9A

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 LMNA 3292/4885SMN1; SMN2 2/4885MAPT 343/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU LMNA 3292/4885SMN1; SMN2 2/4885MAPT 343/4885

“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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