SCHEMBL23915396

SCHEMBL23915396

COC(=O)Cc1nn(CC2COC(C)(C)O2)c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.43
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HRH1 P35367 1/20 0.42
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.40
GPR39 O43194 1/20 0.40
S1PR2 O95136 2/20 0.40
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
AKR1B1 P15121 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
SCHEMBL23915523 0.89 MAPT (0.57) MAPTTMEM97SIGMAR1ALOX15KMT2A
SCHEMBL23915512 0.80 TSHR (0.52) RECQLALDH1A1MAPTHRH1TSHR
SCHEMBL23914889 0.80 RECQL (0.56) RECQLALDH1A1MAPTHRH1ALOX15
SCHEMBL23914733 0.79 RECQL (0.48) RECQLALDH1A1MAPTHRH1SMN1; SMN2
SCHEMBL23914900 0.78 RECQL (0.52) RECQLALDH1A1MAPTHRH1ALOX15
SCHEMBL23915614 0.78 GPR39 (0.62) RECQLALDH1A1MAPTHRH1SMN1; SMN2
SCHEMBL23915615 0.76 RECQL (0.52) RECQLALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL9529811 0.75 RECQL (0.62) RECQLALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL23915389 0.74 RECQL (0.52) RECQLALDH1A1MAPTHRH1ALOX15
SCHEMBL23966572 0.72 RECQL (0.57) RECQLALDH1A1MAPTALOX15SMN1; 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 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 1509/4885ALDH1A1 944/4885MAPT 4876/4885

“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.