SCHEMBL23914730

SCHEMBL23914730

O=C(O)Cc1nn(CCC2CCOCC2)c(=O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
AKR1B1 P15121 17/20 0.54
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.47

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
SCHEMBL23914632 0.87 RECQL (0.49) MAPTAKR1B1KMT2APOLB
SCHEMBL23914950 0.85 MAPT (0.61) MAPTAKR1B1KMT2APOLB
SCHEMBL23915524 0.79 MAPT (0.67) MAPTAKR1B1KMT2APOLB
SCHEMBL23913685 0.77 MAPT (0.64) MAPTAKR1B1KMT2APOLB
SCHEMBL10007138 0.76 MAPT (0.79) MAPTAKR1B1KMT2APOLB
SCHEMBL23914932 0.76 MAPT (0.58) MAPTAKR1B1POLB
SCHEMBL9327258 0.76 MAPT (0.78) MAPTAKR1B1KMT2APOLB
SCHEMBL23966567 0.75 MAPT (0.68) MAPTAKR1B1KMT2APOLB
SCHEMBL23914635 0.75 MAPT (0.57) MAPTAKR1B1KMT2A
SCHEMBL23914751 0.74 MAPT (0.56) MAPTAKR1B1KMT2A

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 124/4885KMT2A 2974/4885

“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.