SCHEMBL23909070

SCHEMBL23909070

CC(C)(C)OC(=O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2cc(Br)ccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.46
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DTYMK P23919 1/20 0.36

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
SCHEMBL23966510 0.89 S1PR2 (0.45) S1PR2KMT2AMEN1LMNAGAA
SCHEMBL23908992 0.88 S1PR2 (0.46) S1PR2KMT2AMEN1LMNAGAA
SCHEMBL23915287 0.87 S1PR2 (0.45) S1PR2KMT2AMEN1LMNAGAA
SCHEMBL23908956 0.84 RECQL (0.49) S1PR2KMT2AMEN1LMNARXFP1
SCHEMBL28886686 0.83 KMT2A (0.42) S1PR2KMT2AMEN1LMNARXFP1
SCHEMBL28377186 0.80 S1PR2 (0.45) S1PR2KMT2AMEN1LMNARXFP1
SCHEMBL23915510 0.77 S1PR2 (0.58) S1PR2KMT2AMEN1LMNAGAA
SCHEMBL23915429 0.76 AKR1B1 (0.52) KMT2AMEN1L3MBTL1AKR1B1MAPT
SCHEMBL23909062 0.76 AKR1B1 (0.52) S1PR2KMT2AMEN1LMNAGAA
SCHEMBL23915612 0.75 RECQL (0.54) GAAL3MBTL1ALDH1A1AKR1B1

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 S1PR2 3/4885KMT2A 2974/4885MEN1 2554/4885

“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.