SCHEMBL23914670

SCHEMBL23914670

CC(C)(C)OC(=O)Cc1n[nH]c2ccccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 5/20 0.43
STAT3 P40763 1/20 0.43
HIF1A Q16665 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
HPGD P15428 1/20 0.40
YTHDC1 Q96MU7 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 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
SCHEMBL23909017 0.85 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2ALDH1A1KDM4ESTAT3
SCHEMBL23966522 0.80 ALDH1A1 (0.56) SMN1; SMN2CYP1A2ALDH1A1KDM4ENPC1
SCHEMBL23908935 0.79 LMNA (0.62) SMN1; SMN2CYP1A2ALDH1A1KDM4ESTAT3
SCHEMBL19410157 0.75 JAK2 (0.43) SMN1; SMN2CYP1A2ALDH1A1HIF1A
SCHEMBL21591507 0.75 CYP1A2 (0.58) SMN1; SMN2CYP1A2ALDH1A1KDM4ESTAT3
SCHEMBL4300704 0.75 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1KDM4ESTAT3HIF1A
SCHEMBL30424275 0.74 CYP1A2 (0.61) SMN1; SMN2CYP1A2ALDH1A1KDM4ESTAT3
SCHEMBL25233016 0.74 CYP1A2 (0.61) SMN1; SMN2CYP1A2ALDH1A1KDM4ESTAT3
SCHEMBL9378653 0.73 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL23915506 0.73 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDLMNAMAPT

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 3 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
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 SMN1; SMN2 2920/4885CYP1A2 1079/4885ALDH1A1 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.