SCHEMBL22101652

SCHEMBL22101652

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ MAPT P10636 9/20 0.36
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35

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
SCHEMBL22101668 0.90 TSHR (0.39) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL22101589 0.88 NOS1 (0.40) KMT2ANOS3NOS1MAPTLMNA
SCHEMBL22101995 0.86 LMNA (0.45) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL22101576 0.85 LMNA (0.39) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL22101951 0.85 — —
SCHEMBL22101613 0.85 ESR1 (0.33) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL22101610 0.85 ALDH1A1 (0.34) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL22101627 0.84 TPMT (0.33) —
SCHEMBL22101983 0.84 CYP19A1 (0.35) NOS3NOS1MAPTRAB9ANPC1
SCHEMBL22101956 0.83 GAA (0.37) KMT2AMAPTRAB9ANPC1MAPK1

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 KMT2A 1051/4885NOS3 3691/4885NOS1 3391/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU KMT2A 1051/4885NOS3 3691/4885NOS1 3391/4885

“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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