SCHEMBL3084650

SCHEMBL3084650

N#Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.59
POLB P06746 5/20 0.58
SAE1 Q9UBE0 1/20 0.57
UBA2 Q9UBT2 1/20 0.57
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
NLRP3 Q96P20 1/20 0.54
PGR P06401 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
IL18 Q14116 1/20 0.53
GAA P10253 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL9223532 0.93 POLB (0.64) RORCPOLBSAE1UBA2MAPT
SCHEMBL15899425 0.90 POLB (0.59) RORCPOLBSAE1UBA2MAPT
SCHEMBL7473435 0.90 POLB (0.53) RORCPOLBSAE1UBA2MAPT
SCHEMBL7308833 0.89 L3MBTL1 (0.58) RORCPOLBMAPTHTTPGR
SCHEMBL23054844 0.89 POLB (0.58) RORCPOLBSAE1UBA2MAPT
SCHEMBL13716356 0.89 RORC (0.53) RORCPOLBSAE1UBA2MAPT
SCHEMBL15480399 0.89 HDAC1 (0.65) RORCKDM4EPAX8
SCHEMBL8638627 0.87 RORC (0.52) RORCPOLBSAE1UBA2MAPT
SCHEMBL20777973 0.87 PGR (0.65) RORCPOLBLMNAHTTPGR
SCHEMBL15480393 0.87 PGR (0.65) RORCPOLBLMNAHTTPGR

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-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis HUANG TIEN L 2010-10-21 US disclosed
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis HUANG TIEN L 2010-10-21 US disclosed
WO-2008070831-A2 BISBENZAMIDINES AND BISBENZAMIDOXIMES FOR THE TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 WO disclosed
WO-2008070831-A2 BISBENZAMIDINES AND BISBENZAMIDOXIMES FOR THE TREATMENT OF HUMAN AFRICAN TRYPANOSOMIASIS XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 WO disclosed
US-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 US disclosed
US-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites XAVIER UNIVERSITY OF LOUISIANA (US) 2008-06-12 US 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-20080139534-A1 or sleeping sickness, caused by Trypanosoma brucei gambiense and Trypanosoma brucei rhodesiense; lethargy, continous sleep, breakdown of neurological function, coma and death; viricide, antiprotozoa agent; Pentamidine analog; topoisomerases II inhibitor; inhibit synthesis of DNA, RNA by parasites TOP2A, TOP2B, TOP1 RORC 4140/4885POLB 4/4885SAE1 909/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT RORC 4280/4885POLB 344/4885SAE1 2968/4885

“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.