SCHEMBL5716697

SCHEMBL5716697

O=C(c1ccccc1)c1cc2cc3c(cc2[nH]1)OCO3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.56
HDAC6 Q9UBN7 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAP2K1 Q02750 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 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
SCHEMBL2400125 0.82 GPR35 (0.56) RAB9AMEN1KMT2ANPC1TSHR
SCHEMBL30817138 0.82 GPR35 (0.56) RAB9AMEN1KMT2ANPC1TSHR
SCHEMBL10227639 0.78 FLT3 (0.58) RAB9AMEN1KMT2ANPC1HDAC6
SCHEMBL16821915 0.77 CA2 (0.54) RAB9AMEN1KMT2ANPC1TSHR
SCHEMBL6170489 0.76 MEN1 (0.70) RAB9AMEN1KMT2ANPC1HDAC6
SCHEMBL2729915 0.75 FLT3 (0.79) RAB9AMEN1KMT2ANPC1HDAC6
SCHEMBL8985814 0.74 KDM4E (0.49) RAB9AMEN1KMT2ANPC1CYP1A2
SCHEMBL16795765 0.74 CA2 (0.47) RAB9AMEN1KMT2ANPC1TSHR
SCHEMBL5450567 0.72 KDM4E (0.51) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL13174693 0.72 GPR35 (0.56) KMT2ATSHRALDH1A1KDM4ECA2

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 7 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
EP-1442015-A1 USE OF 2-ACYLINDOLES IN THE TREATMENT OF TUMORS Baxter Healthcare SA (CH) 2004-08-04 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
WO-2003037861-A1 USE OF 2-ACYLINDOLES IN THE TREATMENT OF TUMORS BAXTER HEALTHCARE SA (CH) 2003-05-08 WO disclosed
EP-1276720-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTA Medica AG (DE) 2003-01-22 EP disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US disclosed
WO-2001082909-A2 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (DE) 2001-11-08 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 (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 RAB9A 2603/4885MEN1 1405/4885KMT2A 554/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT RAB9A 2603/4885MEN1 1405/4885KMT2A 554/4885

“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.