SCHEMBL3333636

SCHEMBL3333636

COc1cc(OC)c2cc[nH]c2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.45
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 0.42
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL593491 0.75 KDM4E (0.42) BRD4CYP19A1NQO2CYP3A4MAPT
SCHEMBL7291038 0.75 CYP19A1 (0.50) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30403479 0.74 P2RX7 (0.40) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13555276 0.73 BRD4 (0.36) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6514486 0.73 BRD4 (0.47) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5567677 0.73 BRD4 (0.53) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9700936 0.73 CCR8 (0.57) CA9CA12CA1CA2CYP19A1
SCHEMBL30261030 0.71 BRD4 (0.45) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25748345 0.71 NR3C1 (0.41) BRD4CYP19A1NQO2ACHEMAPT
SCHEMBL7835424 0.71 BRD4 (0.45) BRD4TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
EP-2121601-B1 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2016-06-15 EP disclosed
CN-101652346-B Indole derivatives, process for their preparation and their use, especially as antibacterial agents UNIV JOSEPH FOURIER 2013-10-30 CN disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-8343964-B2 Indolic derivatives, their preparation processes and their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2013-01-01 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
US-20100144779-A1 Marine Alkalod Makaluvamines and Derivatives Thereof THE UAB RESEARCH FOUNDATION (US) 2010-06-10 US disclosed
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS UNIVERSITE JOSEPH FOURIER (FR) 2010-06-10 US disclosed
US-20100144779-A1 Marine Alkalod Makaluvamines and Derivatives Thereof THE UAB RESEARCH FOUNDATION (US) 2010-06-10 US disclosed
CN-101652346-A Novel indole derivatives, process for their preparation and their use, especially as antibacterial agents UNIV JOSEPH FOURIER FR 2010-02-17 CN disclosed
WO-2008110690-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2008-09-18 WO disclosed
WO-2008103483-A2 MARINE ALKALOID MAKALUVAMINES AND DERIVATIVES THEREOF THE UAB RESEARCH FOUNDATION (US) 2008-08-28 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-20100144779-A1 Marine Alkalod Makaluvamines and Derivatives Thereof TOP2A, CHEK2, TOP2B BRD4 906/4885TUBB4A 2264/4885TUBB 1977/4885
US-20100144726-A1 NOVEL INDOLIC DERIVATIVES, THEIR PREPARATION PROCESSES AND THEIR USES IN PARTICULAR AS ANTIBACTERIALS GPBAR1, TPH1, GPER1 BRD4 1158/4885TUBB4A 3576/4885TUBB 1375/4885

“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.