SCHEMBL5716657

SCHEMBL5716657

COc1cc(C(=O)c2cc3cccnc3[nH]2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 1/20 0.53
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
TUBB4A P04350 6/20 0.49
TUBB P07437 6/20 0.49
TUBA3C P0DPH7 6/20 0.49
TUBA1B P68363 6/20 0.49
TUBA4A P68366 6/20 0.49
TUBB4B P68371 6/20 0.49
TUBB3 Q13509 6/20 0.49
TUBB2A Q13885 6/20 0.49
TUBB8 Q3ZCM7 6/20 0.49
TUBA3E Q6PEY2 6/20 0.49
TUBA1A Q71U36 6/20 0.49
TUBA1C Q9BQE3 6/20 0.49
TUBB6 Q9BUF5 6/20 0.49

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
SCHEMBL5716682 0.81 MEN1 (0.50) MEN1KMT2ARIPK1HRH4HRH3
SCHEMBL5716771 0.80 MEN1 (0.57) MEN1KMT2AMAPTRIPK1SMN1; SMN2
SCHEMBL5716713 0.80 PDGFRB (0.48) MEN1KMT2APDGFRBPDGFRATUBB4A
SCHEMBL426783 0.79 PDGFRB (0.74) MEN1KMT2APDGFRBPDGFRATUBB4A
SCHEMBL5716760 0.78 DRD2 (0.50) MEN1KMT2APOLBMAPTPDGFRB
SCHEMBL4271585 0.77 HRH4 (0.57) RIPK1HRH4HRH3
SCHEMBL31088687 0.77 HRH4 (0.57) RIPK1HRH4HRH3
Hydrochloric Acid SCHEMBL1879831 0.76 HRH4 (0.56) RIPK1HRH4HRH3
SCHEMBL12606356 0.75 RIPK1 (0.70) RIPK1
SCHEMBL1336724 0.74 MEN1 (0.65) MEN1KMT2AHPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276720-B1 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (CH) 2006-12-20 EP disclosed
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 MEN1 1405/4885KMT2A 554/4885HPGD 2111/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT MEN1 1405/4885KMT2A 554/4885HPGD 2111/4885

“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.