SCHEMBL22101994

SCHEMBL22101994

CC(=N\N=C(/S)NCC(F)(F)F)/C(=N/N=C(\S)NCC(F)(F)F)c1ccc(C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.38
▸ NOS1 P29475 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ACACB O00763 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.31
▸ MAOB P27338 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL22101619 0.90 KMT2A (0.37) POLBLMNAEPHX2NR1H4SMN1; SMN2
SCHEMBL22101957 0.87 CA12 (0.31) POLBLMNA
SCHEMBL22101653 0.86 MAPK14 (0.41) MAPK14POLBPARP10MAOBMAPT
SCHEMBL22101622 0.86 LMNA (0.32) POLBLMNASMN1; SMN2
SCHEMBL22101774 0.86 LMNA (0.31) POLBLMNA
SCHEMBL22101977 0.86 SMN1; SMN2 (0.40) POLBLMNAEPHX2SMN1; SMN2MAOB
SCHEMBL22101590 0.86 LMNA (0.31) POLBLMNASMN1; SMN2
SCHEMBL22101989 0.86 ESR1 (0.31) POLBLMNAMAPT
SCHEMBL22101993 0.85 ALDH1A1 (0.39) POLBEPHX2NR1H4SMN1; SMN2KDM4E
SCHEMBL22101958 0.85 LMNA (0.30) POLBLMNA

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 MAPK14 4758/4885NOS1 3391/4885POLB 1445/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU MAPK14 4758/4885NOS1 3391/4885POLB 1445/4885

“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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