SCHEMBL23914872

SCHEMBL23914872

CCOC(=O)C(C)n1nc(CBr)c2cc(Br)ccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NLRP3 Q96P20 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
JAK2 O60674 1/20 0.39
PAK4 O96013 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
MET P08581 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
SCHEMBL23915561 0.87 MAPT (0.56) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23908905 0.86 MAPT (0.67) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23914616 0.82 MAPT (0.48) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL26732709 0.73 NLRP3 (0.62) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL23909111 0.73 MAPT (0.73) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29033146 0.71 ELANE (0.39) MAPTL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL15486374 0.70 LMNA (0.48) ALDH1A1LMNATSHRSMN1; SMN2ATM
SCHEMBL23914586 0.70 MAPT (0.52) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL24076931 0.70 CYP2C19 (0.60) L3MBTL1ALDH1A1KDM4ELMNAMEN1
SCHEMBL28377852 0.70 RECQL (0.52) MAPTL3MBTL1ALDH1A1LMNATSHR

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 MAPT 4876/4885L3MBTL1 2938/4885ALDH1A1 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.