SCHEMBL19635767

SCHEMBL19635767

CCOC(=O)c1c(Br)c(COc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
NR2F2 P24468 1/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 1/20 0.43
ESRRB O95718 1/20 0.43
ESR1 P03372 1/20 0.43
ESRRA P11474 1/20 0.43
ESRRG P62508 1/20 0.43
GPR119 Q8TDV5 6/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL28643152 0.86 NR1H2 (0.38) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19618968 0.84 MRGPRX4 (0.47) SMN1; SMN2LMNAHTTMAPTGAA
SCHEMBL28637717 0.84 MAPT (0.44) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19635047 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL24378074 0.84 MAPT (0.39) SMN1; SMN2LMNAMAPTGAAKDM4E
SCHEMBL19635143 0.83 MAPK13 (0.43) LMNAMAPTGAAKDM4EMEN1
SCHEMBL19615237 0.83 KMT2A (0.46) LMNAHTTMAPTGAAKDM4E
SCHEMBL19634868 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL23251241 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL19615199 0.81 MCL1 (0.41) SMN1; SMN2LMNAMAPTGAAMEN1

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.