SCHEMBL19615765

SCHEMBL19615765

COCCOC(=O)c1nn(CCOC)c(C2CC2)c1Br

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
XIAP P98170 1/20 0.33
KMT2A Q03164 1/20 0.33
PLEC Q15149 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.30
IGF1R P08069 1/20 0.30

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
SCHEMBL29291175 0.82
SCHEMBL19635553 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL29291176 0.78 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2PDE10AIGF1R
SCHEMBL19615411 0.78 ALDH1A1 (0.33) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL19618980 0.76 ALDH1A1 (0.39) ALDH1A1MAPTGAAPOLBKMT2A
SCHEMBL678995 0.73 HSD17B10 (0.34) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL19635863 0.72 MAPT (0.40) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL19615268 0.71 NTRK1 (0.38) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL19635549 0.71 CNR1 (0.47) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL19635868 0.71 EPHX2 (0.35) ALDH1A1MAPTGAAKDM4EMEN1

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 1451/4885MAPT 2810/4885GAA 3918/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALDH1A1 1443/4885MAPT 2202/4885GAA 4215/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885MAPT 3026/4885GAA 4042/4885

“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.