SCHEMBL22101645

SCHEMBL22101645

CCc1ccc(C(=N\N=C(/S)NC)/C(C)=N/N=C(\S)NC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ GAA P10253 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ PLAU P00749 1/20 0.31
▸ MAPK1 P28482 2/20 0.31

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
SCHEMBL22101643 0.83 — —
SCHEMBL22101613 0.83 ESR1 (0.33) ALDH1A1CYP2C9GAALMNAMEN1
SCHEMBL22101610 0.83 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2CYP2C9GAALMNA
SCHEMBL22101951 0.83 — —
SCHEMBL22101576 0.83 LMNA (0.39) ALDH1A1SMN1; SMN2CYP2C9GAALMNA
SCHEMBL22101585 0.81 METTL3 (0.34) ALDH1A1SMN1; SMN2GAALMNANPC1
SCHEMBL22101577 0.81 ADRA2A (0.33) ALDH1A1HPGD
SCHEMBL22101627 0.81 TPMT (0.33) —
SCHEMBL22101658 0.81 KMT2A (0.33) ALDH1A1SMN1; SMN2GAANPC1POLB
SCHEMBL22101983 0.81 CYP19A1 (0.35) SMN1; SMN2NPC1TDP1MAPTRAB9A

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 PLK1 4221/4885ALDH1A1 293/4885SMN1; SMN2 2/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU PLK1 4221/4885ALDH1A1 293/4885SMN1; SMN2 2/4885

“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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