SCHEMBL4149665

SCHEMBL4149665

Cn1cc(C(=O)O)c(=O)c2cc(I)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
KMT2A Q03164 4/20 0.49
MAP2K2 P36507 1/20 0.46
MAP2K1 Q02750 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.44
PTPN1 P18031 1/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 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
SCHEMBL13774353 0.88 ALDH1A1 (0.45) LMNAKMT2AMAP2K2MAP2K1KDM4E
SCHEMBL28564024 0.87 KDM4E (0.50) LMNAKMT2AMAP2K2MAP2K1KDM4E
SCHEMBL399326 0.84 LMNA (0.56) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL4157847 0.82 KDM4E (0.55) LMNAMAP2K2MAP2K1KDM4EALDH1A1
SCHEMBL18589519 0.82 LMNA (0.54) LMNAKMT2AMAP2K1KDM4EALDH1A1
SCHEMBL4150175 0.81 KDM4E (0.42) LMNAKMT2AMAP2K2MAP2K1KDM4E
SCHEMBL4144523 0.81 ALDH1A1 (0.48) LMNAKMT2AMAP2K2MAP2K1KDM4E
SCHEMBL4154022 0.81 KDM4E (0.42) LMNAKMT2AKDM4EALDH1A1HPGD
SCHEMBL3289384 0.81 KDM4E (0.44) LMNAKMT2AMAP2K2MAP2K1KDM4E
SCHEMBL3006540 0.81 KDM4E (0.68) LMNAKMT2AKDM4EALDH1A1HPGD

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
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
EP-1945652-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 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-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS LMNA 1071/4885KMT2A 4546/4885MAP2K2 4330/4885

“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.