SCHEMBL22102004

SCHEMBL22102004

FC(F)(F)CN/C(S)=N/N=C(C(=N/N=C(\S)NCC(F)(F)F)/c1ccc(Cl)cc1)\c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ CNR1 P21554 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ TMEM97 Q5BJF2 2/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL22101612 0.92 KDM4E (0.33) SMN1; SMN2POLBCES1KMT2AGAA
SCHEMBL22101822 0.88 ESR1 (0.31) —
SCHEMBL22101690 0.88 ESR1 (0.42) CES2KMT2ALMNAMEN1MAPT
SCHEMBL22101651 0.88 NPC1 (0.38) POLBHSD11B1KMT2ALMNAALDH1A1
SCHEMBL22101657 0.86 HSD11B1 (0.41) SMN1; SMN2POLBHSD11B1KMT2AGAA
SCHEMBL22101679 0.86 DAO (0.38) POLBCES2CES1LMNAALDH1A1
SCHEMBL22101675 0.86 MEN1 (0.32) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL22101977 0.86 SMN1; SMN2 (0.40) SMN1; SMN2POLBKMT2AGAALMNA
SCHEMBL22101959 0.86 NPC1 (0.35) SMN1; SMN2KMT2AGAAALDH1A1MEN1
SCHEMBL22101656 0.86 LMNA (0.43) SMN1; SMN2POLBCES2CES1HSD11B1

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 2/4885POLB 1445/4885CNR1 3378/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU SMN1; SMN2 2/4885POLB 1445/4885CNR1 3378/4885

“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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