SCHEMBL3975715

SCHEMBL3975715

NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 1/20 0.58
TOP1 P11387 1/20 0.58
TOP2A P11388 3/20 0.56
TOP2B Q02880 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
GSK3B P49841 3/20 0.50
KCNH2 Q12809 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PIK3CD O00329 2/20 0.47
PIK3R1 P27986 2/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47

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
SCHEMBL31402735 1.00 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL4914817 0.99 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL30748683 0.99 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5544784 0.94 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5549146 0.93 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4392662 0.91 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819280 0.90 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5546359 0.89 TOP1 (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819196 0.89 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
Trifluoroacetic Acid SCHEMBL5546378 0.88 TOP1 (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest EMORY UNIVERSITY (US) 2009-12-10 US disclosed
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest EMORY UNIVERSITY (US) 2009-12-10 US disclosed
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
CN-1307194-C Macrolides GLAXO GROUP LTD (GB) 2007-03-28 CN disclosed
CN-1849328-A Novel 14 and 15 membered-ring compounds GLAXO GROUP LTD (GB) 2006-10-18 CN disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
CN-1820016-A novel 14 and 15 membered ring compounds GLAXO GROUP LTD (GB) 2006-08-16 CN disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
CN-1612888-A Macrolides GLAXO GROUP LTD (GB) 2005-05-04 CN disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A KDM4E 3840/4885ALDH1A1 2827/4885LMNA 2615/4885
US-20090306035-A1 Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest SNRPE, NSUN2, SNRPA KDM4E 3182/4885ALDH1A1 3615/4885LMNA 808/4885

“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.