SCHEMBL6004098

SCHEMBL6004098

O=C1NCCC2C1=Nc1ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.36
NOS3 P29474 4/20 0.36
NOS2 P35228 4/20 0.36
ADRA1A P35348 4/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
PARP1 P09874 2/20 0.32
PDPK1 O15530 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2A P08913 2/20 0.31
CYP2D6 P10635 2/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31

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
Indoline SCHEMBL28874564 0.88 PARP11 (0.40) ADRA1ADDB1CRBNPARP1PDPK1
SCHEMBL441521 0.72 NOS1 (0.39) NOS1NOS3NOS2ADRA1ADDB1
SCHEMBL1012779 0.70 NOS1 (0.40) NOS1NOS3NOS2ADRA1AHTR1A
SCHEMBL29357835 0.70 NOS1 (0.40) NOS1NOS3NOS2ADRA1AHTR1A
SCHEMBL9745024 0.67 HTR2B (0.39) ADRA1ALMNAADRA2ACYP2D6ADRA1D
SCHEMBL24598116 0.66 HTR2A (0.41) NOS1NOS3NOS2PARP1MEN1
SCHEMBL19565614 0.66 ADRA1A (0.47) NOS1NOS3NOS2ADRA1AMEN1
SCHEMBL4592058 0.66 NOS1 (0.36) NOS1NOS3NOS2ADRA1A
SCHEMBL18556688 0.65 NOS1 (0.38) NOS1NOS3NOS2ADRA1AMEN1
SCHEMBL19183045 0.65 CYP19A1 (0.41) ADRA1ADDB1CRBNPARP1PDPK1

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
CN-115260188-A Preparation method of tetrahydro-beta-carbolinone compound 浙江理工大学 2022-11-01 CN claimed
WO-2006011750-A1 TETRAHYDRO-BETA-CARBOLINONE DERIVATIVES AND PROCESS FOR PREPARING THE SAME C & C RESEARCH LABORATORIES (KR) 2006-02-02 WO claimed
CN-115260188-A Preparation method of tetrahydro-beta-carbolinone compound 浙江理工大学 2022-11-01 CN disclosed
CN-115260188-A Preparation method of tetrahydro-beta-carbolinone compound 浙江理工大学 2022-11-01 CN disclosed
CN-115260188-A Preparation method of tetrahydro-beta-carbolinone compound 浙江理工大学 2022-11-01 CN disclosed
US-20140194429-A1 COMPOSITIONS FOR TREATMENT OF CANCER NOVARX CORPORATION 2014-07-10 US disclosed
WO-2006011750-A1 TETRAHYDRO-BETA-CARBOLINONE DERIVATIVES AND PROCESS FOR PREPARING THE SAME C & C RESEARCH LABORATORIES (KR) 2006-02-02 WO disclosed
WO-2006011750-A1 TETRAHYDRO-BETA-CARBOLINONE DERIVATIVES AND PROCESS FOR PREPARING THE SAME C & C RESEARCH LABORATORIES (KR) 2006-02-02 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 (1 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-20140194429-A1 COMPOSITIONS FOR TREATMENT OF CANCER TP53, MCL1, CD44 NOS1 3474/4885NOS3 2609/4885NOS2 2694/4885

“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.