SCHEMBL14907904

SCHEMBL14907904

CCCCOc1ccc(Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)cc1OCCCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.53
MDM2 Q00987 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
XBP1 P17861 1/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ATM Q13315 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
POLB P06746 1/20 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
SCHEMBL14893450 0.85 RECQL (0.59) HPGDLMNAMAPK1RECQLMDM2
SCHEMBL14907906 0.84 SMN1; SMN2 (0.62) HPGDLMNAMAPK1ALDH1A1TSHR
SCHEMBL22800918 0.79 HPGD (0.81) HPGDLMNAMAPK1RECQLMDM2
SCHEMBL27411452 0.78 ALDH1A1 (0.67) HPGDMAPK1RECQLMDM2ALDH1A1
SCHEMBL16028621 0.78 ATM (0.71) HPGDLMNAMAPK1RECQLMDM2
SCHEMBL16076188 0.77 BRDT (0.71) HPGDLMNAMAPK1RECQLMDM2
SCHEMBL4667126 0.76 RECQL (0.76) LMNAMAPK1RECQLMDM2ALDH1A1
SCHEMBL27628883 0.76 KDM4E (0.78) HPGDLMNAMAPK1RECQLMDM2
SCHEMBL22800983 0.75 ALDH1A1 (0.66) HPGDLMNAMAPK1RECQLMDM2
SCHEMBL17845827 0.75 RECQL (0.67) HPGDLMNAMAPK1RECQLMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 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-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP HPGD 3538/4885LMNA 1005/4885MAPK1 1343/4885

“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.