SCHEMBL1587553

SCHEMBL1587553

CC(CNS(=O)(=O)c1cccc(C(=O)c2ccccc2C(=O)N2CCC3(CC2)CN/C(=N\C(=O)c2nc(Cl)c(N)nc2N)N3)c1)Oc1cccnc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKLR P30613 1/20 0.31
PIK3CG P48736 2/20 0.30

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
SCHEMBL2127502 0.94 LMNA (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2PKLR
SCHEMBL1684873 0.87 LMNA (0.40) ALDH1A1LMNAMAPK1SMN1; SMN2PKLR
SCHEMBL12003319 0.83 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1SMN1; SMN2PKLR
SCHEMBL12215916 0.83 LMNA (0.34) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1684932 0.83 PKM (0.33) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL19392741 0.83 LMNA (0.34) ALDH1A1LMNA
SCHEMBL1684813 0.83 HSD11B1 (0.32) ALDH1A1LMNAMAPK1SMN1; SMN2PKLR
SCHEMBL2125530 0.81 LMNA (0.43) ALDH1A1LMNAMAPK1SMN1; SMN2PKLR
SCHEMBL1586762 0.80 SMN1; SMN2 (0.41) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1684946 0.79 ALDH1A1 (0.31) ALDH1A1

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
WO-2011050325-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 WO disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885LMNA 2078/4885MAPK1 2283/4885

“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.