SCHEMBL23914932

SCHEMBL23914932

O=C(O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
AKR1B1 P15121 8/20 0.58
S1PR2 O95136 2/20 0.56
ALOX15 P16050 1/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL23915510 0.87 S1PR2 (0.58) MAPTAKR1B1S1PR2ALOX15GAA
SCHEMBL23908938 0.85 S1PR2 (0.46) MAPTAKR1B1S1PR2GAATSHR
SCHEMBL23914960 0.85 S1PR2 (0.44) MAPTAKR1B1S1PR2GAAPOLB
SCHEMBL23909062 0.83 AKR1B1 (0.52) AKR1B1S1PR2GAATSHRPOLB
SCHEMBL23909112 0.83 S1PR2 (0.45) MAPTAKR1B1S1PR2GAANPSR1
SCHEMBL23915640 0.83 AKR1B1 (0.52) AKR1B1S1PR2GAATSHRPOLB
SCHEMBL23966862 0.83 AKR1B1 (0.47) MAPTAKR1B1S1PR2ALOX15GAA
SCHEMBL23914753 0.82 S1PR2 (0.43) MAPTAKR1B1S1PR2ALOX15GAA
SCHEMBL23914637 0.82 AKR1B1 (0.47) MAPTAKR1B1S1PR2GAAPOLB
SCHEMBL9327258 0.82 MAPT (0.78) MAPTAKR1B1ALOX15TSHRPOLB

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885AKR1B1 124/4885S1PR2 3/4885

“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.