SCHEMBL22494473

SCHEMBL22494473

NNC(=O)C(CCCCOC1CCCCO1)c1ccc(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSB P07858 3/20 0.34
CTSK P43235 3/20 0.34
CTSL P07711 2/20 0.34
CTSH P09668 2/20 0.34
CTSS P25774 2/20 0.34
CTSF Q9UBX1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX3 P56373 4/20 0.34
KDM4C Q9H3R0 1/20 0.32
EPHX2 P34913 3/20 0.32

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
SCHEMBL22494465 0.87 MEN1 (0.43) MEN1KMT2ACTSBCTSKCTSL
SCHEMBL21374326 0.81 MEN1 (0.49) MEN1KMT2AKDM4C
SCHEMBL21886901 0.79 MEN1 (0.49) MEN1KMT2AKDM4C
SCHEMBL21326189 0.76 MEN1 (0.41) MEN1KMT2A
SCHEMBL18614980 0.75 MEN1 (0.41) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL22494487 0.73 MEN1 (0.37) MEN1KMT2AL3MBTL1P2RX3KDM4C
SCHEMBL22504269 0.70 KMT2A (0.52) MEN1KMT2AKDM4C
SCHEMBL9308239 0.67 MEN1 (0.49) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL2967740 0.67 MEN1 (0.45) MEN1KMT2AKDM4C
SCHEMBL9705177 0.67 MEN1 (0.54) MEN1KMT2AL3MBTL1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315745-B Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-3728262-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 US disclosed
EP-3728262-A1 TRIAZOLO-AZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111315745-A Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2020-06-19 CN 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-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 MEN1 998/4885KMT2A 2045/4885CTSB 1151/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 MEN1 868/4885KMT2A 1856/4885CTSB 1135/4885

“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.