SCHEMBL23915512

SCHEMBL23915512

COC(=O)Cc1nn(CC2CCCO2)c(=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HRH1 P35367 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
GPR39 O43194 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL23914733 0.97 RECQL (0.48) TSHRKDM4ELMNARECQLKMT2A
SCHEMBL23914635 0.87 MAPT (0.57) TSHRKDM4ELMNAKMT2AALDH1A1
SCHEMBL23914751 0.84 MAPT (0.56) TSHRKDM4ELMNAKMT2AALDH1A1
SCHEMBL23915614 0.84 GPR39 (0.62) TSHRLMNARECQLALDH1A1HRH1
SCHEMBL23914889 0.83 RECQL (0.56) TSHRLMNARECQLALDH1A1HRH1
SCHEMBL23915389 0.80 RECQL (0.52) TSHRLMNARECQLKMT2AALDH1A1
SCHEMBL23915396 0.80 RECQL (0.47) TSHRRECQLKMT2AALDH1A1HRH1
SCHEMBL23914890 0.78 HRH1 (0.55) TSHRLMNARECQLALDH1A1HRH1
SCHEMBL23914900 0.78 RECQL (0.52) TSHRLMNARECQLALDH1A1HRH1
SCHEMBL23914632 0.77 RECQL (0.49) TSHRLMNARECQLKMT2AALDH1A1

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 TSHR 588/4885KDM4E 3835/4885LMNA 449/4885

“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.