Sugi Predict

Sugi Predict / Compounds / SCHEMBL6014782

SCHEMBL6014782

SCHEMBL6014782

C=CCOC(=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1c(C(=O)OCC)[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ POLB P06746 2/20 0.61
▸ APOBEC3A P31941 1/20 0.61
▸ CASP6 P55212 1/20 0.61
▸ APOBEC3G Q9HC16 1/20 0.61
▸ KDM4E B2RXH2 9/20 0.50
▸ TUBB4A P04350 2/20 0.50
▸ TUBB P07437 2/20 0.50
▸ TUBA3C P0DPH7 2/20 0.50
▸ TUBA1B P68363 2/20 0.50
▸ TUBA4A P68366 2/20 0.50
▸ TUBB4B P68371 2/20 0.50
▸ TUBB3 Q13509 2/20 0.50
▸ TUBB2A Q13885 2/20 0.50
▸ TUBB8 Q3ZCM7 2/20 0.50
▸ TUBA3E Q6PEY2 2/20 0.50
▸ TUBA1A Q71U36 2/20 0.50
▸ TUBA1C Q9BQE3 2/20 0.50
▸ TUBB6 Q9BUF5 2/20 0.50

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
SCHEMBL19661278 0.91 MEN1 (0.66) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL6014766 0.91 KMT2A (0.61) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL8472591 0.89 MEN1 (0.62) MEN1KMT2APOLBKDM4ETUBB4A
SCHEMBL8475171 0.82 KDM4E (0.56) MEN1KMT2APOLBKDM4ETUBB4A
SCHEMBL8471965 0.80 KDM4E (0.54) MEN1KMT2APOLBKDM4ETUBB4A
SCHEMBL8472332 0.80 KDM4E (0.54) MEN1KMT2APOLBKDM4ETUBB4A
SCHEMBL5261636 0.78 HTR6 (0.57) MEN1KMT2APOLBKDM4ETUBB4A
SCHEMBL8472324 0.78 MEN1 (0.53) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL3030210 0.77 KDM4E (0.62) MEN1KMT2AKDM4ETUBB4ATUBB
SCHEMBL8472895 0.76 HTR6 (0.55) MEN1KMT2APOLBAPOBEC3ACASP6

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 2123/4885POLB 4036/4885

“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.