SCHEMBL29868554

SCHEMBL29868554

NC(=O)CN1C(=O)Cc2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CRHR1 P34998 3/20 0.45
AADAT Q8N5Z0 1/20 0.44
NOTUM Q6P988 1/20 0.43
DRD2 P14416 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALDH3A1 P30838 3/20 0.39
ALDH2 P05091 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CRHR2 Q13324 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
TDP2 O95551 1/20 0.37
KMO O15229 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL662015 1.00 ATM (0.46) ATMCRHR1AADATNOTUMDRD2
SCHEMBL661264 0.82 PER2 (0.42) NOTUMALDH1A1ALDH3A1MEN1KMT2A
SCHEMBL29868564 0.81 MAPT (0.47) MAPTCYP2C9
SCHEMBL661030 0.81 MAPT (0.47) MAPTCYP2C9
SCHEMBL3315684 0.80 HDAC6 (0.44) ATMNOTUMHDAC1HDAC6TDP2
SCHEMBL659938 0.79 BRD4 (0.36) NOTUMALDH1A1DPP7TDP2KMT2A
SCHEMBL661388 0.79 HDAC1 (0.44) CRHR1AADATNOTUMDRD2DRD3
SCHEMBL664077 0.79 HDAC1 (0.44) ATMALDH1A1ALDH3A1HDAC1HDAC6
SCHEMBL661918 0.79 PDE5A (0.50) AADATNOTUMALDH1A1MEN1KMT2A
SCHEMBL7893735 0.79 AADAT (0.47) CRHR1AADATNOTUMALDH1A1ALDH3A1

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-20240293363-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION UNIV JOHNS HOPKINS (US) 2024-09-05 US disclosed
US-20230033195-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2023-02-02 US disclosed
US-20220265685-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY 2022-08-25 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 (3 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-20240293363-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE2, RAB2A, VAMP8 ATM 1342/4885CRHR1 1605/4885AADAT 416/4885
US-20220265685-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION BACE1, BACE2, ACHE ATM 927/4885CRHR1 1804/4885AADAT 1980/4885
US-20230033195-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION GRIN2D, GRIN2A, SLC18A2 ATM 869/4885CRHR1 1387/4885AADAT 344/4885

“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.