SCHEMBL416742

SCHEMBL416742

COC(=O)c1cc2c(cc1F)CCC(N)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
ACHE P22303 2/20 0.43
OPRK1 P41145 1/20 0.41

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
SCHEMBL10881982 0.84 MAPT (0.61) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL10884801 0.83 MAPT (0.59) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL469843 0.82 HDAC8 (0.47) HSD17B10ALDH1A1DRD2DRD3ACHE
SCHEMBL415810 0.81 HDAC8 (0.48) HSD17B10ALDH1A1ACHE
SCHEMBL803162 0.80 ACHE (0.42) HSD17B10ALDH1A1KDM4EACHE
SCHEMBL803251 0.80 ACHE (0.42) HSD17B10ALDH1A1ACHE
Hydrochloric Acid SCHEMBL484838 0.79 ACHE (0.44) HSD17B10ALDH1A1ACHE
Hydrochloric Acid SCHEMBL785261 0.79 ACHE (0.44) HSD17B10ALDH1A1ACHE
Hydrochloric Acid SCHEMBL785262 0.79 ACHE (0.44) HSD17B10ALDH1A1ACHE
Hydrochloric Acid SCHEMBL484839 0.79 ACHE (0.44) HSD17B10ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS MAPT 4852/4885NFKB1 425/4885THPO 2103/4885

“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.