SCHEMBL23914629

SCHEMBL23914629

CC(C)(C)OC(=O)Cc1n[nH]c(=O)c2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.49
PRMT5 O14744 2/20 0.48
WDR77 Q9BQA1 2/20 0.48
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 2/20 0.38

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
SCHEMBL19410157 0.85 JAK2 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL24661307 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL23908895 0.79 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL15217604 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL23087948 0.78 PRMT5 (0.66) SMN1; SMN2PRMT5WDR77LMNAPARP1
SCHEMBL19746420 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL17825064 0.76 PRMT5 (0.59) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL29480940 0.76 PRMT5 (0.59) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA
SCHEMBL23099036 0.76 PRMT5 (0.59) SMN1; SMN2PRMT5WDR77LMNAPARP1
SCHEMBL31375983 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1PRMT5WDR77LMNA

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 SMN1; SMN2 2920/4885ALDH1A1 944/4885PRMT5 3849/4885

“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.