SCHEMBL3077544

SCHEMBL3077544

O=Cc1ccc(N2CCN(c3ccc(C=O)cc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.83
TRIM33 Q9UPN9 1/20 0.83
ALDH1A1 P00352 4/20 0.80
KDM4E B2RXH2 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
MAOB P27338 1/20 0.47
PTGS2 P35354 3/20 0.47
ACHE P22303 1/20 0.46
FURIN P09958 1/20 0.46
KCNJ1 P48048 1/20 0.45
METAP1 P53582 1/20 0.44
GAA P10253 1/20 0.44
CYP2A6 P11509 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2561698 1.00 TRIM24 (0.83) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1443539 0.91 TRIM24 (0.70) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL253732 0.91 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7180854 0.91 TRIM24 (0.91) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL208547 0.89 ALDH1A1 (1.00) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20639904 0.89 TRIM24 (0.68) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5692418 0.89 TRIM24 (0.68) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3917375 0.89 TRIM24 (0.68) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL896372 0.89 ALDH1A1 (1.00) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL160596 0.89 ALDH1A1 (1.00) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2

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
CN-118290329-A Compound taking piperazine as framework, and preparation method and application thereof 北京化工大学 2024-07-05 CN 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
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-4540523-A Phenylalkylamino-styryl dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
US-4258182-A FOR DYEING AND PRINTING PAPER AND FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1981-03-24 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 TRIM24 4057/4885TRIM33 3446/4885ALDH1A1 4324/4885
US-20100267702-A1 Bisbenzamidines and bisbenzamidoximes for the treatment of human African trypanosomiasis PBRM1, TFB2M, ABAT TRIM24 4762/4885TRIM33 4605/4885ALDH1A1 3802/4885

“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.