SCHEMBL2216111

SCHEMBL2216111

COc1ccc(C(=O)Oc2cc(OC)c(OC)c(OC)c2)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.67
TUBB4A P04350 3/20 0.67
TUBB P07437 3/20 0.67
TUBA3C P0DPH7 3/20 0.67
TUBA1B P68363 3/20 0.67
TUBA4A P68366 3/20 0.67
TUBB4B P68371 3/20 0.67
TUBB3 Q13509 3/20 0.67
TUBB2A Q13885 3/20 0.67
TUBB8 Q3ZCM7 3/20 0.67
TUBA3E Q6PEY2 3/20 0.67
TUBA1A Q71U36 3/20 0.67
TUBA1C Q9BQE3 3/20 0.67
TUBB6 Q9BUF5 3/20 0.67
TUBB2B Q9BVA1 3/20 0.67
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.56

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
SCHEMBL17507473 0.89 MEN1 (0.54) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12435904 0.85 KMT2A (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11142542 0.85 ALDH1A1 (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11165263 0.84 ALDH1A1 (0.61) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11146505 0.82 KMT2A (0.65) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11136875 0.82 ALDH1A1 (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11140714 0.81 ALDH1A1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13240109 0.80 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30427425 0.79 ALDH1A1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL51894 0.79 ALDH1A1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
US-8710098-B2 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Chinese Academy of Medical Science (CN) 2014-04-29 US disclosed
EP-2351731-A1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2011-08-03 EP disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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 (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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 TUBB1 3156/4885TUBB4A 2601/4885TUBB 3037/4885

“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.