SCHEMBL22101605

SCHEMBL22101605

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 4/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP2C19 P33261 6/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ CYP1A2 P05177 5/20 0.35
▸ CYP2C9 P11712 5/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 6/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL22101954 0.90 GAA (0.37) MEN1KMT2ALMNAGAATDP1
SCHEMBL22101637 0.85 GAA (0.33) LMNAGAATDP1NPSR1CYP2C19
SCHEMBL22101997 0.85 ESR1 (0.41) MEN1KMT2ALMNARAB9ACYP3A4
SCHEMBL22101985 0.84 POLB (0.48) KMT2ALMNAGAATDP1CYP2C19
SCHEMBL22101991 0.84 KMT2A (0.37) MEN1KMT2ATDP1RAB9ACYP2C9
SCHEMBL22101983 0.84 CYP19A1 (0.35) TDP1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL22101670 0.84 MEN1 (0.41) MEN1KMT2ALMNATDP1CYP2C19
SCHEMBL22101640 0.84 TSHR (0.45) MEN1KMT2ALMNAGAACYP2C19
SCHEMBL22101672 0.84 ITGA1 (0.36) GAATDP1NPSR1CYP1A2ALDH1A1
SCHEMBL22101642 0.84 TSHR (0.41) MEN1KMT2ALMNAGAATDP1

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 MEN1 902/4885KMT2A 1051/4885LMNA 3292/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU MEN1 902/4885KMT2A 1051/4885LMNA 3292/4885

“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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