SCHEMBL3205850

SCHEMBL3205850

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HIF1A Q16665 1/20 0.46
NAMPT P43490 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
MAPK14 Q16539 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PTPRC P08575 2/20 0.43

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
SCHEMBL22121449 0.86 DRD2 (0.58) HDAC1HIF1AMEN1KMT2ASMN1; SMN2
SCHEMBL3218315 0.85 HDAC1 (0.53) HDAC1NAMPTMEN1ALDH1A1KMT2A
SCHEMBL13423690 0.81 GRIN1 (0.54) HDAC1HIF1AHPGDHTTSMN1; SMN2
SCHEMBL8201092 0.79 PTPRC (0.65) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL1467340 0.79 NAAA (0.56) HDAC1MEN1ALDH1A1LMNAHPGD
SCHEMBL3224811 0.78 CA1 (0.56) HDAC1HIF1AHPGDHTTSMN1; SMN2
SCHEMBL13423692 0.78 CA12 (0.45) HDAC1KDM4EMEN1ALDH1A1LMNA
SCHEMBL8197262 0.78 PTPRC (0.71) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16152246 0.78 SMN1; SMN2 (0.60) MEN1ALDH1A1KMT2ASMN1; SMN2ACACB
SCHEMBL3211250 0.78 HIF1A (0.51) HDAC1HIF1AMEN1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B HDAC1 317/4885HIF1A 3157/4885NAMPT 1742/4885

“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.