SCHEMBL31428607

SCHEMBL31428607

CC(=O)N1/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(F)n2)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 2/20 0.47
▸ ALDH1A1 P00352 7/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ KLK7 P49862 1/20 0.38

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
SCHEMBL31428724 0.85 FKBP1A (0.53) FKBP1AALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL31428971 0.84 FKBP1A (0.48) FKBP1AALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31428687 0.82 FKBP1A (0.47) FKBP1AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL31428466 0.81 ALDH1A1 (0.46) FKBP1AALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL30163514 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL31428606 0.79 ALDH1A1 (0.47) FKBP1AALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL31428723 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL31429006 0.77 HPGD (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL31428561 0.76 FKBP1A (0.57) FKBP1AALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL31428538 0.76 HPGD (0.46) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 — — 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 (1 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS FKBP1A 2064/4885ALDH1A1 2352/4885TSHR 1389/4885

“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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