SCHEMBL23914733

SCHEMBL23914733

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
TSHR P16473 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PDE8B O95263 1/20 0.48
LMNA P02545 4/20 0.47
HRH1 P35367 2/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
ALPL P05186 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR39 O43194 1/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL23915512 0.97 TSHR (0.52) RECQLTSHRKDM4ELMNAHRH1
SCHEMBL23914751 0.87 MAPT (0.56) TSHRKDM4ELMNAKMT2AALDH1A1
SCHEMBL23914635 0.84 MAPT (0.57) TSHRKDM4ELMNAKMT2AALDH1A1
SCHEMBL23915614 0.83 GPR39 (0.62) RECQLTSHRLMNAHRH1ALDH1A1
SCHEMBL23914889 0.82 RECQL (0.56) RECQLTSHRLMNAHRH1ALDH1A1
SCHEMBL23915389 0.79 RECQL (0.52) RECQLTSHRLMNAHRH1KMT2A
SCHEMBL23915396 0.79 RECQL (0.47) RECQLTSHRHRH1KMT2AALDH1A1
SCHEMBL23914890 0.78 HRH1 (0.55) RECQLTSHRLMNAHRH1ALDH1A1
SCHEMBL23914900 0.77 RECQL (0.52) RECQLTSHRLMNAHRH1ALDH1A1
SCHEMBL9529811 0.76 RECQL (0.62) RECQLTSHRLMNAKMT2AALDH1A1

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 RECQL 1509/4885TSHR 588/4885KDM4E 3835/4885

“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.