SCHEMBL22101668

SCHEMBL22101668

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SRD5A2 P31213 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ TYR P14679 1/20 0.34

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
SCHEMBL22101652 0.90 KMT2A (0.39) SMN1; SMN2KMT2APOLBMEN1NPC1
SCHEMBL22101589 0.88 NOS1 (0.40) TSHRALDH1A1KMT2APOLBTDP1
SCHEMBL22101640 0.87 TSHR (0.45) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL22101956 0.87 GAA (0.37) TSHRALDH1A1KMT2APOLBMEN1
SCHEMBL22101576 0.85 LMNA (0.39) TSHRALDH1A1SMN1; SMN2ALOX15KMT2A
SCHEMBL22101610 0.85 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2POLBNPC1SRD5A2
SCHEMBL22101613 0.85 ESR1 (0.33) TP53ALDH1A1ALOX15KMT2AMEN1
SCHEMBL22101951 0.85 — —
SCHEMBL22101983 0.84 CYP19A1 (0.35) TSHRSMN1; SMN2NPC1TDP1MAPT
SCHEMBL22101585 0.84 METTL3 (0.34) ALDH1A1SMN1; SMN2KMT2APOLBMEN1

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 TSHR 3811/4885TP53 2037/4885ALDH1A1 293/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU TSHR 3811/4885TP53 2037/4885ALDH1A1 293/4885

“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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