SCHEMBL19616013

SCHEMBL19616013

Cn1nc(CCN2CCOCC2)c(Br)c1CO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PIM1 P11309 3/20 0.33
LMNA P02545 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19634970 0.87 LMNA (0.37) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL19634925 0.81 LMNA (0.37) ALDH1A1KDM4EPIM1LMNAMAPT
SCHEMBL19635650 0.79 ALDH1A1 (0.37) ALDH1A1KDM4EPIM1LMNASIGMAR1
SCHEMBL19615281 0.75 LMNA (0.39) ALDH1A1KDM4EPIM1LMNAKMT2A
SCHEMBL19635653 0.73 PIM1 (0.37) ALDH1A1KDM4EPIM1LMNASIGMAR1
SCHEMBL19615856 0.73 CYP3A4 (0.45) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL19634954 0.71 KDM4E (0.41) ALDH1A1KDM4EPIM1LMNASIGMAR1
SCHEMBL19635460 0.71 MRGPRX4 (0.42) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL19635542 0.70 LMNA (0.40) ALDH1A1KDM4EPIM1LMNAKMT2A
SCHEMBL17673738 0.68 ALOX15 (0.44) ALDH1A1LMNASIGMAR1KMT2AMAPT

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 10 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
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO 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 ALDH1A1 1451/4885KDM4E 2131/4885PIM1 190/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALDH1A1 1443/4885KDM4E 1858/4885PIM1 168/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885KDM4E 2044/4885PIM1 200/4885

“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.