SCHEMBL4409867

SCHEMBL4409867

CCOC(=O)CNC(=O)CCc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(C)cc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL4400503 0.90 ALDH1A1 (0.43) KDM4EKMT2AMEN1L3MBTL1TUBB4A
SCHEMBL4403582 0.88 SIRT1 (0.45) KDM4EKMT2AMEN1TUBB4ATUBB
SCHEMBL4400380 0.82 SIRT1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4405031 0.81 SIRT1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14194790 0.76 SIRT1 (0.45) KMT2AMEN1GAATUBB4ATUBB
SCHEMBL29819713 0.76 TUBB4A (0.58) KDM4EKMT2AMEN1GAATUBB4A
SCHEMBL4322899 0.76 TUBB4A (0.58) KDM4EKMT2AMEN1GAATUBB4A
SCHEMBL5635745 0.73 CPT1A (0.43) GAAMAPT
SCHEMBL14194793 0.73 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3478415 0.73 TUBB4A (0.45) KDM4EKMT2AMEN1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390029-B1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2009-12-16 EP disclosed
US-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 US disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-6710068-B2 PHENYLSULFONYLINODLES USEFUL FOR THE TREATMENT OF HIV IN HUMANS AND OTHER HOST ANIMALS IDENIX PHARMACEUTICALS, INC. 2004-03-23 US disclosed
US-20020193415-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2002-12-19 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 (3 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-20070293668-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 KDM4E 1393/4885KMT2A 3276/4885MEN1 3850/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 KDM4E 1393/4885KMT2A 3276/4885MEN1 3850/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 KDM4E 1393/4885KMT2A 3276/4885MEN1 3850/4885

“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.