SCHEMBL22101619

SCHEMBL22101619

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ SRD5A2 P31213 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 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
SCHEMBL22101994 0.90 MAPK14 (0.38) POLBLMNASMN1; SMN2L3MBTL1ACACB
SCHEMBL22101573 0.89 KDM4E (0.32) POLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL22101590 0.88 LMNA (0.31) POLBLMNASMN1; SMN2
SCHEMBL22101622 0.88 LMNA (0.32) KMT2APOLBLMNATSHRSMN1; SMN2
SCHEMBL22101679 0.88 DAO (0.38) POLBLMNAALDH1A1TSHRL3MBTL1
SCHEMBL22101989 0.88 ESR1 (0.31) KMT2APOLBLMNAALDH1A1
SCHEMBL22101774 0.88 LMNA (0.31) POLBLMNA
SCHEMBL22101977 0.88 SMN1; SMN2 (0.40) KMT2APOLBLMNAALDH1A1TSHR
SCHEMBL22101993 0.88 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL22101958 0.87 LMNA (0.30) POLBLMNA

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 KMT2A 1051/4885POLB 1445/4885LMNA 3292/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU KMT2A 1051/4885POLB 1445/4885LMNA 3292/4885

“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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