SCHEMBL22101977

SCHEMBL22101977

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 5/20 0.33
▸ POLB P06746 2/20 0.33
▸ GABRA5 P31644 2/20 0.32
▸ CYP1A2 P05177 4/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ CYP2C19 P33261 3/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ACKR3 P25106 1/20 0.30
▸ MAPT P10636 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
SCHEMBL22101989 0.89 ESR1 (0.31) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL22101590 0.89 LMNA (0.31) SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL22101774 0.89 LMNA (0.31) LMNAPOLB
SCHEMBL22101622 0.89 LMNA (0.32) SMN1; SMN2LMNAPOLBGABRA5TSHR
SCHEMBL22101957 0.88 CA12 (0.31) LMNAPOLBTSHRALDH1A1CYP2C19
SCHEMBL22101619 0.88 KMT2A (0.37) SMN1; SMN2LMNAPOLBTSHRALDH1A1
SCHEMBL22101958 0.88 LMNA (0.30) LMNAPOLB
SCHEMBL22101615 0.88 FPR3 (0.31) LMNAPOLB
SCHEMBL22101573 0.88 KDM4E (0.32) SMN1; SMN2POLB
SCHEMBL22101780 0.87 LMNA (0.34) SMN1; SMN2LMNAPOLBEPHX2

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 SMN1; SMN2 2/4885LMNA 3292/4885POLB 1445/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU SMN1; SMN2 2/4885LMNA 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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