SCHEMBL19635047

SCHEMBL19635047

Cn1nc(COc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(Br)c1CO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
NR2F2 P24468 1/20 0.47
MAPT P10636 3/20 0.45
ESRRB O95718 1/20 0.45
ESR1 P03372 1/20 0.45
ESRRA P11474 1/20 0.45
ESRRG P62508 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GPR119 Q8TDV5 11/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL21802247 0.87 MAPT (0.44) SMN1; SMN2LMNANPC1MAPTALDH1A1
SCHEMBL19634868 0.86 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL23251241 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28647264 0.85 NR1H2 (0.39) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19635767 0.84 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19615217 0.81 ESRRB (0.45) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19635385 0.81 ESRRB (0.45) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19635460 0.81 MRGPRX4 (0.42) SMN1; SMN2LMNANPC1MAPTALDH1A1
SCHEMBL19615270 0.81 MEN1 (0.45) SMN1; SMN2HTTNPC1MAPTALDH1A1
SCHEMBL28637717 0.80 MAPT (0.44) SMN1; SMN2LMNAHTTNPC1NR2F2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO 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 (3 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 SMN1; SMN2 4099/4885LMNA 962/4885HTT 271/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 SMN1; SMN2 4139/4885LMNA 1055/4885HTT 189/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 SMN1; SMN2 4202/4885LMNA 933/4885HTT 307/4885

“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.