SCHEMBL29586103

SCHEMBL29586103

CC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
MGLL Q99685 2/20 0.43
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.41
GAA P10253 4/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
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
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29587337 0.84 MGLL (0.43) PTPN7PTPN12PTPN22MGLLALDH1A1
SCHEMBL29586959 0.81 ALDH1A1 (0.47) PTPN7PTPN12PTPN22MGLLALDH1A1
SCHEMBL29586022 0.81 ALDH1A1 (0.47) PTPN7PTPN12PTPN22MGLLALDH1A1
SCHEMBL29586015 0.78 MGLL (0.43) PTPN7PTPN12PTPN22MGLLALDH1A1
SCHEMBL15664050 0.77 ALDH1A1 (0.51) MGLLALDH1A1KMT2AGAAROCK2
SCHEMBL15663909 0.77 ALDH1A1 (0.51) PTPN7PTPN12PTPN22MGLLALDH1A1
SCHEMBL18375511 0.76 ALDH1A1 (0.67) MGLLALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL7257343 0.75 MGLL (0.57) MGLLALDH1A1KMT2AGAABCL9
SCHEMBL29586105 0.75 GAA (0.47) PTPN7PTPN12PTPN22MGLLALDH1A1
SCHEMBL30779373 0.74 GAA (0.48) MGLLALDH1A1KMT2AGAAROCK2

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 PTPN7 1547/4885PTPN12 2793/4885PTPN22 1513/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA PTPN7 1547/4885PTPN12 2793/4885PTPN22 1513/4885

“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.