SCHEMBL23909030

SCHEMBL23909030

CCOC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2cccc(C3CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
S1PR2 O95136 2/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
SLC6A4 P31645 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL23914753 0.87 S1PR2 (0.43) S1PR2ALDH1A1KDM4ERAB9AHSD17B10
SCHEMBL23909071 0.87 RECQL (0.48) RECQLS1PR2ALDH1A1L3MBTL1KDM4E
SCHEMBL23908956 0.77 RECQL (0.49) RECQLS1PR2ALDH1A1L3MBTL1CYP1A2
SCHEMBL23914592 0.75 RECQL (0.47) RECQLS1PR2ALDH1A1L3MBTL1CYP1A2
SCHEMBL23915510 0.75 S1PR2 (0.58) RECQLS1PR2ALDH1A1KDM4EPOLB
SCHEMBL23914960 0.73 S1PR2 (0.44) S1PR2ALDH1A1KDM4ERAB9AHSD17B10
SCHEMBL23914932 0.70 MAPT (0.58) S1PR2POLBSMN1; SMN2GAA
SCHEMBL23915403 0.67 S1PR2 (0.48) S1PR2ALDH1A1KDM4ERAB9AHSD17B10
SCHEMBL9197789 0.67 RECQL (0.81) RECQLALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL28851696 0.65 KDM4E (0.47) ALDH1A1KDM4ERAB9APOLBSMN1; SMN2

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 5 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
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 1509/4885S1PR2 3/4885ALDH1A1 944/4885

“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.