SCHEMBL4745209

SCHEMBL4745209

O=C1CCCCC1C(=O)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TLR4 O00206 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL900888 0.80 MCL1 (0.49) MCL1MAPK1CA1CA2CA4
SCHEMBL21751527 0.80 MCL1 (0.49) MCL1MAPK1CA1CA2CA4
SCHEMBL16936484 0.78 MCL1 (0.47) MCL1MAPK1CA1CA2CA4
SCHEMBL182225 0.76 MAPK1 (0.50) MCL1MAPK1CA1CA2CA4
SCHEMBL16534456 0.74 MCL1 (0.55) MCL1MAPK1CA1CA2CA4
SCHEMBL10458616 0.74 MCL1 (0.55) MCL1MAPK1CA1CA2CA4
SCHEMBL612494 0.74 MCL1 (0.60) MCL1MAPK1CA1CA2CA4
SCHEMBL3553694 0.74 MCL1 (0.60) MCL1MAPK1CA1CA2CA4
SCHEMBL11517543 0.73 MCL1 (0.42) MCL1MAPK1CA1CA2CA4
SCHEMBL3107746 0.73 MCL1 (0.50) MCL1MAPK1CA1CA2CA4

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
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
US-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2023-05-11 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2008148832-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEROF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 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-20230148214-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 MCL1 2007/4885MAPK1 650/4885CA1 4855/4885

“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.