SCHEMBL6014751

SCHEMBL6014751

O=C(O)c1[nH]c2ccccc2c1Sc1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TUBB4A P04350 3/20 0.59
TUBB P07437 3/20 0.59
TUBA3C P0DPH7 3/20 0.59
TUBA1B P68363 3/20 0.59
TUBA4A P68366 3/20 0.59
TUBB4B P68371 3/20 0.59
TUBB3 Q13509 3/20 0.59
TUBB2A Q13885 3/20 0.59
TUBB8 Q3ZCM7 3/20 0.59
TUBA3E Q6PEY2 3/20 0.59
TUBA1A Q71U36 3/20 0.59
TUBA1C Q9BQE3 3/20 0.59
TUBB6 Q9BUF5 3/20 0.59
TUBB2B Q9BVA1 3/20 0.59
TUBB1 Q9H4B7 3/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL8938463 0.91 TUBB4A (0.71) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL16240763 0.85 TUBB4A (0.59) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL16240104 0.83 TUBB4A (0.54) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL9156307 0.83 ALDH1A1 (0.68) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL24074239 0.81 TUBB4A (0.55) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL11683120 0.80 PGR (0.50) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL2348081 0.78 TUBB4A (0.68) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5813270 0.78 TUBB4A (0.80) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6627965 0.78 TUBB4A (0.74) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL11684058 0.78 KDM4E (0.44) MEN1KMT2ATUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081472-B2 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-07-25 US disclosed
US-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-03-18 US disclosed
EP-1343758-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2003-09-17 EP disclosed
WO-2002038546-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-05-16 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-20040053911-A1 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them IDO1, IDO2, CNR1 MEN1 41/4885KMT2A 2123/4885TUBB4A 3317/4885

“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.