SCHEMBL21776362

SCHEMBL21776362

CC(C)C(=O)CCc1nn[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
NAALAD2 Q9Y3Q0 3/20 0.46
PLA2G2C Q5R387 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
KDM5A P29375 1/20 0.42
MLYCD O95822 1/20 0.39
PADI4 Q9UM07 1/20 0.39
EPHX2 P34913 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN2D O15399 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
SCHEMBL25705148 0.81 CA12 (0.54) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL20665298 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL12892226 0.75 KDM6B (0.50) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL4127134 0.72 CA12 (0.71) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL5325386 0.72 PLA2G2C (0.57) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL13780257 0.71 L3MBTL1 (0.62) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL12972991 0.71 L3MBTL1 (0.58) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL19755641 0.70 FPR2 (0.50) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL5325383 0.70 NAALAD2 (0.49) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C
SCHEMBL19487325 0.68 NAALAD2 (0.43) L3MBTL1ALDH1A1LMNANAALAD2PLA2G2C

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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS L3MBTL1 1677/4885ALDH1A1 3448/4885LMNA 3109/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS L3MBTL1 1677/4885ALDH1A1 3448/4885LMNA 3109/4885

“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.