SCHEMBL22101610

SCHEMBL22101610

CN/C(S)=N/N=C(C)/C(=N/N=C(\S)NC)c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ SRD5A2 P31213 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CES2 O00748 2/20 0.31
▸ CES1 P23141 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL22101576 0.87 LMNA (0.39) ALDH1A1SMN1; SMN2TDP1MAPTNPC1
SCHEMBL22101613 0.87 ESR1 (0.33) ALDH1A1MAPTGAALMNACYP2D6
SCHEMBL22101951 0.87 — —
SCHEMBL22101585 0.85 METTL3 (0.34) ALDH1A1SMN1; SMN2TDP1MAPTNPC1
SCHEMBL22101652 0.85 KMT2A (0.39) SMN1; SMN2TDP1MAPTNPC1RAB9A
SCHEMBL22101577 0.85 ADRA2A (0.33) ALDH1A1HDAC1HPGD
SCHEMBL22101627 0.85 TPMT (0.33) —
SCHEMBL22101983 0.85 CYP19A1 (0.35) SMN1; SMN2TDP1MAPTNPC1RAB9A
SCHEMBL22101658 0.85 KMT2A (0.33) ALDH1A1SMN1; SMN2TDP1MAPTNPC1
SCHEMBL22101956 0.85 GAA (0.37) ALDH1A1TDP1MAPTNPC1RAB9A

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 293/4885SMN1; SMN2 2/4885MMP13 4273/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ALDH1A1 293/4885SMN1; SMN2 2/4885MMP13 4273/4885

“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.

Send feedback