SCHEMBL19001333

SCHEMBL19001333

CC(C)C(=O)N1CCC(N2CCCC2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.50
F10 P00742 3/20 0.47
VNN1 O95497 3/20 0.42
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ENPP2 Q13822 1/20 0.39
PIK3CD O00329 1/20 0.39
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SPR P35270 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL8160823 0.83 KDM5A (0.46) KDM5AF10VNN1KMT2ANPC1
SCHEMBL15264280 0.81 KDM5A (0.44) KDM5AF10VNN1KMT2ANPC1
SCHEMBL6015105 0.81 VNN1 (0.46) KDM5AF10VNN1NPC1RAB9A
SCHEMBL10074929 0.80 KDM5A (0.43) KDM5AF10VNN1KMT2ANPC1
SCHEMBL18701762 0.79 VNN1 (0.46) KDM5AF10VNN1KMT2ANPC1
SCHEMBL19001328 0.79 EPHX2 (0.44) KDM5AF10VNN1KMT2ANPC1
SCHEMBL10074641 0.79 POLB (0.46) KDM5AF10VNN1KMT2ANPC1
SCHEMBL10074405 0.79 NPC1 (0.44) KDM5AF10VNN1KMT2ANPC1
SCHEMBL10232786 0.78 KDM5A (0.41) KDM5AF10VNN1PIK3CDMMP13
SCHEMBL4516164 0.77 L3MBTL1 (0.52) TP53MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KDM5A 3421/4885F10 4279/4885VNN1 3483/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KDM5A 3421/4885F10 4279/4885VNN1 3483/4885

“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.