SCHEMBL7065680

SCHEMBL7065680

COc1ccc(-c2cc3ccccc3[nH]2)c(C(=O)CCN2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 3/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.46
DRD3 P35462 2/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL7067431 0.99 KDR (0.51) KDRMAOAMAOBHRH3MEN1
SCHEMBL7066592 0.90 MAOA (0.53) KDRMAOAMAOBALDH1A1LMNA
SCHEMBL7066089 0.81 KDM4E (0.47) KDRMAOAMAOBMEN1ALDH1A1
SCHEMBL7065140 0.80 PDGFRB (0.47) KDRMAOAMAOBMEN1ALDH1A1
SCHEMBL7067374 0.77 FLT3 (0.44) KDRMEN1ALDH1A1MAPTKMT2A
SCHEMBL12123626 0.73 LMNA (0.64) MAOAMAOBHRH3MEN1ALDH1A1
SCHEMBL7061816 0.73 KDM4E (0.50) KDRMAOBMEN1ALDH1A1POLB
SCHEMBL11650959 0.71 RAB9A (0.63) KDRMAOBMEN1ALDH1A1LMNA
SCHEMBL10851657 0.70 ALDH1A1 (0.76) MAOAMAOBHRH3MEN1ALDH1A1
SCHEMBL27412451 0.69 PDGFRB (0.55) KDRMEN1ALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US 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 (2 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-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT KDR 2578/4885MAOA 48/4885MAOB 161/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT KDR 2578/4885MAOA 48/4885MAOB 161/4885

“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.