SCHEMBL22101989

SCHEMBL22101989

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL22102028 0.95 LMNA (0.31) LMNAPOLB
SCHEMBL22101590 0.89 LMNA (0.31) LMNAPOLB
SCHEMBL22101774 0.89 LMNA (0.31) LMNAPOLB
SCHEMBL22101622 0.89 LMNA (0.32) LMNAPOLBKMT2A
SCHEMBL22101977 0.89 SMN1; SMN2 (0.40) LMNAPOLBMEN1ALDH1A1MAPT
SCHEMBL22101957 0.88 CA12 (0.31) LMNAPOLBALDH1A1
SCHEMBL22101958 0.88 LMNA (0.30) LMNAPOLB
SCHEMBL22101619 0.88 KMT2A (0.37) LMNAPOLBALDH1A1KMT2A
SCHEMBL22101615 0.88 FPR3 (0.31) LMNAPOLB
SCHEMBL22101573 0.88 KDM4E (0.32) POLB

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 ESR1 1937/4885LMNA 3292/4885POLB 1445/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ESR1 1937/4885LMNA 3292/4885POLB 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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