SCHEMBL23909071

SCHEMBL23909071

CCOC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2cccc(Br)c12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
ALDH1A1 P00352 1/20 0.46
S1PR2 O95136 2/20 0.45
SLC6A4 P31645 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL23909030 0.87 RECQL (0.46) RECQLALDH1A1S1PR2SLC6A4L3MBTL1
SCHEMBL23914960 0.87 S1PR2 (0.44) ALDH1A1S1PR2KDM4ERAB9AHSD17B10
SCHEMBL23908956 0.83 RECQL (0.49) RECQLALDH1A1S1PR2SLC6A4L3MBTL1
SCHEMBL23914592 0.79 RECQL (0.47) RECQLALDH1A1S1PR2SLC6A4L3MBTL1
SCHEMBL23915510 0.77 S1PR2 (0.58) RECQLALDH1A1S1PR2KDM4EPOLB
SCHEMBL23914753 0.73 S1PR2 (0.43) ALDH1A1S1PR2KDM4ERAB9AHSD17B10
SCHEMBL23914932 0.72 MAPT (0.58) S1PR2POLBSMN1; SMN2GAA
SCHEMBL23909070 0.71 S1PR2 (0.46) ALDH1A1S1PR2L3MBTL1RAB9AHSD17B10
SCHEMBL23915403 0.69 S1PR2 (0.48) ALDH1A1S1PR2CYP1A2CYP3A4CYP2C9
SCHEMBL9197789 0.69 RECQL (0.81) RECQLALDH1A1SLC6A4L3MBTL1CYP1A2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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
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 RECQL 1509/4885ALDH1A1 944/4885S1PR2 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.