SCHEMBL3515601

SCHEMBL3515601

N#Cc1ccc(OCCCCCOc2ccc(C#N)cc2OCCCCCOc2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MAPT P10636 2/20 0.47
MMP3 P08254 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
MMP2 P08253 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
AR P10275 1/20 0.43
ICMT O60725 2/20 0.43
MAOB P27338 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
SCHEMBL5526919 0.85 HRH3 (0.66) HRH3HDAC1HDAC2MAPTMMP3
SCHEMBL12408526 0.85 HRH3 (0.66) HRH3HDAC1HDAC2MAPTMMP3
SCHEMBL7983991 0.85 HRH3 (0.66) HRH3HDAC1HDAC2MAPTMMP3
SCHEMBL7387284 0.85 HRH3 (0.66) HRH3HDAC1HDAC2MAPTMMP3
SCHEMBL1579372 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHTTL3MBTL1
SCHEMBL3517104 0.85 ALDH1A1 (0.40) HRH3MAPTALDH1A1HPGDPPARD
SCHEMBL31238634 0.85 PTGDR2 (0.41) HRH3HDAC1HDAC2MAPTALDH1A1
SCHEMBL20332712 0.83 HRH3 (0.60) HRH3HDAC1HDAC2MAPTMMP3
SCHEMBL20333565 0.83 HRH3 (0.60) HRH3HDAC1HDAC2MAPTMMP3
SCHEMBL5519875 0.83 HRH3 (0.62) HRH3HDAC1HDAC2MAPTMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436049-B2 Uses of pentamidine and related compounds STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2013-05-07 US disclosed
US-8436049-B2 Uses of pentamidine and related compounds STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2013-05-07 US disclosed
US-8436049-B2 Uses of pentamidine and related compounds STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2013-05-07 US disclosed
US-20100323993-A1 USES OF PENTAMIDINE AND RELATED COMPOUNDS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON 2010-12-23 US disclosed
US-20100323993-A1 USES OF PENTAMIDINE AND RELATED COMPOUNDS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON 2010-12-23 US disclosed
US-20100323993-A1 USES OF PENTAMIDINE AND RELATED COMPOUNDS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON 2010-12-23 US disclosed
WO-2009105691-A2 USES OF PENTAMIDINE AND RELATED COMPOUNDS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2009-08-27 WO disclosed
WO-2009105691-A2 USES OF PENTAMIDINE AND RELATED COMPOUNDS STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2009-08-27 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-20100323993-A1 USES OF PENTAMIDINE AND RELATED COMPOUNDS MBNL1, MTPN, RRBP1 HRH3 2698/4885HDAC1 2269/4885HDAC2 3013/4885

“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.