SCHEMBL22101993

SCHEMBL22101993

CC(=O)Nc1ccc(C(=N\N=C(/S)NCC(F)(F)F)/C(C)=N/N=C(\S)NCC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 3/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL22101603 0.89 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBMAPK1HTT
SCHEMBL22101619 0.88 KMT2A (0.37) ALDH1A1TP53SMN1; SMN2EPHX2POLB
SCHEMBL22101628 0.86 HDAC3 (0.30) HDAC1
SCHEMBL22101994 0.85 MAPK14 (0.38) SMN1; SMN2EPHX2POLBNR1H4L3MBTL1
SCHEMBL22101774 0.84 LMNA (0.31) POLB
SCHEMBL22101989 0.84 ESR1 (0.31) ALDH1A1POLB
SCHEMBL22101622 0.84 LMNA (0.32) SMN1; SMN2POLB
SCHEMBL22101977 0.84 SMN1; SMN2 (0.40) ALDH1A1NFKB1SMN1; SMN2EPHX2POLB
SCHEMBL22101590 0.84 LMNA (0.31) SMN1; SMN2POLB
SCHEMBL22101573 0.82 KDM4E (0.32) SMN1; SMN2POLBATML3MBTL1KDM4E

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 ALDH1A1 293/4885TP53 2037/4885HIF1A 2290/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ALDH1A1 293/4885TP53 2037/4885HIF1A 2290/4885

“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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