SCHEMBL22101585

SCHEMBL22101585

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NOS1 P29475 3/20 0.31
▸ NOS3 P29474 2/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ BAD Q92934 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL22101576 0.85 LMNA (0.39) SMN1; SMN2LMNAALDH1A1MEN1POLB
SCHEMBL22101613 0.85 ESR1 (0.33) LMNAALDH1A1MEN1MAPTALOX12
SCHEMBL22101610 0.85 ALDH1A1 (0.34) SMN1; SMN2LMNAALDH1A1POLBMAPT
SCHEMBL22101951 0.85 — —
SCHEMBL22101577 0.84 ADRA2A (0.33) ALDH1A1
SCHEMBL22101658 0.84 KMT2A (0.33) SMN1; SMN2ALDH1A1MEN1POLBMAPT
SCHEMBL22101652 0.84 KMT2A (0.39) SMN1; SMN2LMNAMEN1POLBMAPT
SCHEMBL22101668 0.84 TSHR (0.39) SMN1; SMN2ALDH1A1MEN1POLBMAPT
SCHEMBL22101983 0.84 CYP19A1 (0.35) SMN1; SMN2MAPTTDP1NOS1NOS3
SCHEMBL22101627 0.84 TPMT (0.33) —

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 METTL3 946/4885SMN1; SMN2 2/4885LMNA 3292/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU METTL3 946/4885SMN1; SMN2 2/4885LMNA 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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