SCHEMBL3093136

SCHEMBL3093136

NN=Cc1ccc(NC(=O)CCCCCC(=O)Nc2ccc(C=NN)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HDAC6 Q9UBN7 10/20 0.50
HDAC1 Q13547 9/20 0.50
HDAC3 O15379 8/20 0.50
HDAC2 Q92769 8/20 0.50
HDAC11 Q96DB2 7/20 0.50
HDAC8 Q9BY41 7/20 0.50
HDAC10 Q969S8 6/20 0.50
NCOR2 Q9Y618 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HDAC4 P56524 6/20 0.49
HDAC7 Q8WUI4 6/20 0.49
HDAC9 Q9UKV0 6/20 0.49
HDAC5 Q9UQL6 6/20 0.49
KDM4E B2RXH2 1/20 0.49
BRD4 O60885 1/20 0.49
NCOR1 O75376 1/20 0.49
NR1I2 O75469 1/20 0.49

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
SCHEMBL3081465 1.00 KMT2A (0.55) KMT2AMEN1HDAC6HDAC1HDAC3
Hydrochloric Acid SCHEMBL27480577 0.88 POLB (0.57) KMT2AMEN1CA1CA2L3MBTL1
SCHEMBL6980785 0.86 CA12 (0.59) KMT2AMEN1CA1CA2KDM4E
Hydrochloric Acid SCHEMBL6983894 0.84 CA12 (0.57) KMT2AMEN1CA1CA2KDM4E
SCHEMBL7347503 0.80 ITGB3 (0.60) KMT2AMEN1HDAC6HDAC1HDAC3
SCHEMBL7423126 0.80 POLB (0.45) KMT2AMEN1CA1CA2LTA4H
SCHEMBL7347966 0.79 POLB (0.44) KMT2AMEN1HDAC6HDAC1HDAC3
SCHEMBL7423108 0.78 CA12 (0.44) KMT2AMEN1CA1CA2L3MBTL1
SCHEMBL7345488 0.78 ITGB3 (0.54) KMT2AMEN1CA1CA2
SCHEMBL8075987 0.78 KMT2A (0.58) KMT2AHDAC6HDAC1HDAC3HDAC2

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 3 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
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

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 KMT2A 347/4885MEN1 3625/4885HDAC6 2252/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT KMT2A 2067/4885MEN1 2518/4885HDAC6 1167/4885

“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.