SCHEMBL16740341

SCHEMBL16740341

COCCOCCOc1ccnc(CO)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
ADRA1D P25100 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 3/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPE Q05469 1/20 0.35
PTK2B Q14289 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
SCHEMBL4898090 0.85 LTA4H (0.45) HTR1AMGAMGAASIMGAM2
SCHEMBL16740415 0.85 MAOA (0.39) HTR1AADRA1DADRA1AADRA1BGAA
SCHEMBL16744462 0.83 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL5583748 0.83 KDM4E (0.49) HTR1AADRA1DADRA1AADRA1BMGAM
Hydrochloric Acid SCHEMBL10371618 0.81 KDM4E (0.51) HTR1AADRA1DADRA1AADRA1BMGAM
SCHEMBL15088139 0.81 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BGAA
SCHEMBL16740342 0.81 AR (0.38) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL16740381 0.80 RAB9A (0.40) GAAKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL16740382 0.80 RAB9A (0.40) GAAKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4684239 0.80 MGAM (0.44) HTR1AADRA1DADRA1AADRA1BMGAM

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 9 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-10010535-B2 Desferrithiocin analogs and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-07-03 US disclosed
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
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 HTR1A 2922/4885ADRA1D 608/4885ADRA1A 1850/4885
US-20160289223-A1 DESFERRITHIOCIN ANALOGS AND USES THEREOF FECH, TFRC, FTH1 HTR1A 2922/4885ADRA1D 608/4885ADRA1A 1850/4885

“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.