SCHEMBL22101589

SCHEMBL22101589

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PARP10 Q53GL7 6/20 0.35
▸ PARP4 Q9UKK3 2/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ NNMT P40261 1/20 0.34
▸ PARP15 Q460N3 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP16 Q8N5Y8 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PLA2G10 O15496 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL22101668 0.88 TSHR (0.39) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL22101652 0.88 KMT2A (0.39) NOS1L3MBTL1KMT2ALMNAMAPT
SCHEMBL22101985 0.85 POLB (0.48) NOS1ALDH1A1L3MBTL1PARP10PARP1
SCHEMBL22101983 0.84 CYP19A1 (0.35) NOS1MAPTTSHRTDP1NOS3
SCHEMBL22101951 0.83 — —
SCHEMBL22101576 0.83 LMNA (0.39) ALDH1A1KMT2ACYP2C19LMNACYP1A2
SCHEMBL22101610 0.83 ALDH1A1 (0.34) ALDH1A1LMNACYP2C9MAPTPOLB
SCHEMBL22101613 0.83 ESR1 (0.33) ALDH1A1L3MBTL1CA2CA1KMT2A
SCHEMBL22101585 0.81 METTL3 (0.34) NOS1ALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL22101658 0.81 KMT2A (0.33) NOS1ALDH1A1L3MBTL1KMT2ACYP2C19

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 NOS1 3391/4885ALDH1A1 293/4885L3MBTL1 450/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU NOS1 3391/4885ALDH1A1 293/4885L3MBTL1 450/4885

“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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