SCHEMBL29586015

SCHEMBL29586015

CC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
GAA P10253 5/20 0.41
HSPB1 P04792 2/20 0.41
P2RX7 Q99572 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
HTT P42858 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39

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
SCHEMBL29586022 0.86 ALDH1A1 (0.47) MGLLGAAMAPTNPSR1MAPK1
SCHEMBL29586959 0.86 ALDH1A1 (0.47) MGLLGAAMAPTNPSR1MAPK1
SCHEMBL29586644 0.83 GAA (0.48) MGLLGAAMAPTNPSR1MAPK1
SCHEMBL29587337 0.80 MGLL (0.43) MGLLGAAMAPTNPSR1ALDH1A1
SCHEMBL15664050 0.80 ALDH1A1 (0.51) MGLLGAAALDH1A1BCL9CTNNB1
SCHEMBL30779373 0.79 GAA (0.48) MGLLGAAMAPTMAPK1ALDH1A1
SCHEMBL29586103 0.78 PTPN7 (0.46) MGLLGAAMAPTNPSR1MAPK1
SCHEMBL29586105 0.77 GAA (0.47) MGLLGAAMAPTALDH1A1PTPN7
SCHEMBL29587529 0.76 GAA (0.47) MGLLGAAMAPTMAPK1ALDH1A1
SCHEMBL15663909 0.75 ALDH1A1 (0.51) MGLLGAAMAPTMAPK1ALDH1A1

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 3361/4885GAA 828/4885HSPB1 826/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA MGLL 3361/4885GAA 828/4885HSPB1 826/4885

“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.