SCHEMBL3977252

SCHEMBL3977252

NCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
TOP1 P11387 1/20 0.46
PIK3CG P48736 3/20 0.44
PIK3CD O00329 2/20 0.44
PIK3R1 P27986 2/20 0.44
PIK3CA P42336 2/20 0.44
GSK3B P49841 3/20 0.43
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42

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
Hydrochloric Acid SCHEMBL5272541 0.99 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5549155 0.94 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4550715 0.90 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819773 0.90 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3810694 0.89 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4388089 0.89 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4914088 0.89 ALDH1A1 (0.39) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4908453 0.89 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
Trifluoroacetic Acid SCHEMBL5550864 0.87 MEN1 (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3814371 0.87 KDM4E (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-7351696-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-04-01 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
US-20070037757-A1 Compounds GLAXO GROUP LIMITED (GB) 2007-02-15 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
CN-1612888-A Macrolides GLAXO GROUP LTD (GB) 2005-05-04 CN 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-20070037757-A1 Compounds FPR1, TSLP, TLR5 KDM4E 3706/4885ALDH1A1 131/4885LMNA 3262/4885
US-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A KDM4E 3840/4885ALDH1A1 2827/4885LMNA 2615/4885

“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.