SCHEMBL29587337

SCHEMBL29587337

CC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
ALDH1A1 P00352 4/20 0.42
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
GAA P10253 3/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 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
SCHEMBL29586105 0.86 GAA (0.47) MGLLALDH1A1PTPN7PTPN12PTPN22
SCHEMBL29586103 0.84 PTPN7 (0.46) MGLLALDH1A1PTPN7PTPN12PTPN22
SCHEMBL29586022 0.84 ALDH1A1 (0.47) MGLLALDH1A1PTPN7PTPN12PTPN22
SCHEMBL29586959 0.84 ALDH1A1 (0.47) MGLLALDH1A1PTPN7PTPN12PTPN22
SCHEMBL29586015 0.80 MGLL (0.43) MGLLALDH1A1PTPN7PTPN12PTPN22
SCHEMBL18375356 0.80 ALDH1A1 (0.46) MGLLALDH1A1GAAMAPTHTT
SCHEMBL29408478 0.80 ALDH1A1 (0.46) MGLLALDH1A1GAAMAPTHTT
SCHEMBL30779373 0.79 GAA (0.48) MGLLALDH1A1GAAMAPTHTT
SCHEMBL15664050 0.77 ALDH1A1 (0.51) MGLLALDH1A1GAABCL9CTNNB1
SCHEMBL15663909 0.77 ALDH1A1 (0.51) MGLLALDH1A1PTPN7PTPN12PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2025-09-30 US disclosed
EP-3990442-B1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-02-28 EP disclosed
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2022-12-08 US disclosed
EP-3990442-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2022-05-04 EP 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-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof ROCK1, ROCK2, RHOA MGLL 3361/4885ALDH1A1 4692/4885PTPN7 1547/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA MGLL 3361/4885ALDH1A1 4692/4885PTPN7 1547/4885

“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.