SCHEMBL22130446

SCHEMBL22130446

CC1(C(=O)Nc2nnn[nH]2)CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
PHGDH O43175 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
CHRM5 P08912 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
GAA P10253 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL22130447 0.81 NOTUM (0.49) ALDH1A1GAA
SCHEMBL20562239 0.76 RBP4 (0.40) LMNAPOLBHPGDMAPK8MAPK10
SCHEMBL22130448 0.73 NPY5R (0.41)
SCHEMBL21958768 0.69 LMNA (0.51) LMNAALDH1A1MAPTGAA
SCHEMBL22130453 0.69 RHOA (0.52) LMNAPOLBHPGD
SCHEMBL22130461 0.69 RHOA (0.52) LMNAPOLBHPGD
SCHEMBL22130456 0.68 LMNA (0.43) LMNAPOLBHPGDMAPK8MAPK10
SCHEMBL22130459 0.68 RHOA (0.58) LMNAPOLBHPGD
SCHEMBL22130452 0.68 RHOA (0.58) LMNAPOLBHPGD
SCHEMBL22130474 0.67 NR3C1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688080-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-23 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 (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-10688080-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA LMNA 338/4885POLB 228/4885HPGD 485/4885

“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.