SCHEMBL22101603

SCHEMBL22101603

CC(=O)Nc1ccc(C(=N\N=C(/S)NCC(F)(F)F)/C(=N/N=C(\S)NCC(F)(F)F)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL22101993 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1CACNA1BAPBA1HTT
SCHEMBL22101649 0.88 NR1I2 (0.41) ALDH1A1L3MBTL1HPGDRAB9ANPC1
SCHEMBL22101978 0.85 TSHR (0.33) ALDH1A1RAB9AKMT2APOLBMEN1
SCHEMBL22101679 0.85 DAO (0.38) ALDH1A1L3MBTL1NAPRTPOLBKDM4E
SCHEMBL22101612 0.85 KDM4E (0.33) ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL22101653 0.83 MAPK14 (0.41) L3MBTL1HSD17B10MAPTPOLBKDM4E
SCHEMBL22101656 0.83 LMNA (0.43) ALDH1A1HPGDRAB9ANPC1MAPT
SCHEMBL22101651 0.81 NPC1 (0.38) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL22101573 0.81 KDM4E (0.32) L3MBTL1SMN1; SMN2POLBKDM4E
SCHEMBL22101785 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1CACNA1BAPBA1HTT

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 293/4885L3MBTL1 450/4885CACNA1B 512/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ALDH1A1 293/4885L3MBTL1 450/4885CACNA1B 512/4885

“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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