SCHEMBL16740342

SCHEMBL16740342

COCCOCCOc1ccnc(C#N)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
MAOB P27338 2/20 0.37
USP8 P40818 1/20 0.37
HTR1A P08908 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL16740415 0.83 MAOA (0.39) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL16740341 0.81 HTR1A (0.36) HTR1AADRA1DADRA1AADRA1BHSD17B10
SCHEMBL15088139 0.79 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL16744462 0.79 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL16740382 0.76 RAB9A (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL16740381 0.76 RAB9A (0.40) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL16740340 0.76 AR (0.38) ARUSP8KDM4EALDH1A1HPGD
SCHEMBL29248916 0.75 ATP4A (0.47) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL2944970 0.74 USP8 (0.41) MAOBUSP8HTR1AADRA1DADRA1A
SCHEMBL22551784 0.70 USP8 (0.43) ARUSP8MAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010535-B2 Desferrithiocin analogs and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-03 US disclosed
US-20160289223-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-10-06 US disclosed
US-20160289223-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-10-06 US disclosed
EP-3071201-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF University of Florida Research Foundation, Inc. (US) 2016-09-28 EP disclosed
WO-2015077655-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-28 WO disclosed
WO-2015077655-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-28 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-10010535-B2 Desferrithiocin analogs and uses thereof FECH, TFRC, FTH1 AR 2850/4885MAOB 1855/4885USP8 4281/4885
US-20160289223-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF FECH, TFRC, FTH1 AR 2850/4885MAOB 1855/4885USP8 4281/4885

“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.