SCHEMBL23914751

SCHEMBL23914751

O=C(O)Cc1nn(CC2CCCCO2)c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
AKR1B1 P15121 12/20 0.50
ALOX15 P16050 1/20 0.48
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 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
SCHEMBL23914635 0.97 MAPT (0.57) MAPTKDM4ETSHRAKR1B1ALOX15
SCHEMBL23914733 0.87 RECQL (0.48) MAPTKDM4ETSHRKMT2ALMNA
SCHEMBL23915512 0.84 TSHR (0.52) MAPTKDM4ETSHRKMT2ALMNA
SCHEMBL23913685 0.81 MAPT (0.64) MAPTTSHRAKR1B1ALOX15KMT2A
SCHEMBL23915524 0.81 MAPT (0.67) MAPTTSHRAKR1B1ALOX15KMT2A
SCHEMBL23914950 0.77 MAPT (0.61) MAPTAKR1B1KMT2A
SCHEMBL23915523 0.76 MAPT (0.57) MAPTAKR1B1ALOX15KMT2A
SCHEMBL9327258 0.75 MAPT (0.78) MAPTTSHRAKR1B1ALOX15KMT2A
SCHEMBL23914958 0.74 MAPT (0.61) MAPTAKR1B1KMT2A
SCHEMBL23914730 0.74 MAPT (0.57) 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 4876/4885KDM4E 3835/4885TSHR 588/4885

“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.