SCHEMBL19635863

SCHEMBL19635863

CCOC(=O)c1nn(CCOC)c(C)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL19615364 0.85 NPC1 (0.36) MAPTHPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL19635570 0.82 MAPT (0.39) MAPTHPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL4158664 0.79 MAPT (0.45) MAPTALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL19615135 0.78 POLB (0.44) HPGDALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL22436862 0.77 DUT (0.36) MAPTALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL19615245 0.76 KMT2A (0.44) MAPTALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL19615279 0.75 CNR1 (0.35) ALDH1A1HTT
SCHEMBL5727018 0.74 GAA (0.43) HPGDALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL14857659 0.74 CYP19A1 (0.58) MAPTALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL15882325 0.73 ELANE (0.61) KDM4ERXFP1

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 MAPT 2810/4885HPGD 881/4885ALDH1A1 1451/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MAPT 2202/4885HPGD 876/4885ALDH1A1 1443/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MAPT 3026/4885HPGD 826/4885ALDH1A1 1379/4885

“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.