SCHEMBL19635510

SCHEMBL19635510

CCOC(=O)c1cc(CC)nn1CCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
PIK3CA P42336 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAD52 P43351 1/20 0.42
UHRF1 Q96T88 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL19635528 0.89 POLB (0.47) POLBCASP7CASP6L3MBTL1LMNA
SCHEMBL23041539 0.86 POLB (0.46) POLBCASP7CASP6L3MBTL1LMNA
Ammonia Solution, Strong SCHEMBL4425204 0.83 POLB (0.51) POLBCASP7CASP6L3MBTL1LMNA
SCHEMBL7700988 0.80 ALDH1A1 (0.47) POLBCASP7CASP6LMNARAB9A
SCHEMBL19615958 0.79 POLB (0.46) POLBCASP7CASP6L3MBTL1RAB9A
SCHEMBL19615359 0.79 POLB (0.47) POLBCASP7CASP6L3MBTL1RXFP1
SCHEMBL7224541 0.78 POLB (0.47) POLBCASP7CASP6L3MBTL1RXFP1
SCHEMBL15441633 0.77 SMN1; SMN2 (0.60) POLBL3MBTL1TDP1LMNARAB9A
SCHEMBL23041613 0.77 POLB (0.46) POLBCASP7CASP6L3MBTL1RXFP1
SCHEMBL7218733 0.76 ALDH1A1 (0.45) POLBCASP7CASP6L3MBTL1RXFP1

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 16 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
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 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-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US 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
EP-3710447-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 EP 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 (7 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 POLB 2024/4885CASP7 3287/4885CASP6 3971/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 POLB 2267/4885CASP7 3048/4885CASP6 3806/4885
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 POLB 1057/4885CASP7 2020/4885CASP6 2973/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 POLB 2027/4885CASP7 3216/4885CASP6 4006/4885
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES AHR, IDO1, CCNA1 POLB 3358/4885CASP7 2600/4885CASP6 2543/4885
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES CCNT2, CCNL2, CCND2 POLB 1057/4885CASP7 2020/4885CASP6 2973/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 POLB 1057/4885CASP7 2020/4885CASP6 2973/4885

“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.