SCHEMBL7518052

SCHEMBL7518052

CCNCCCN(CC)CCCCNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
ALOX15 P16050 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CA12 O43570 2/20 0.48
F13A1 P00488 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
THPO P40225 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CASP2 P42575 2/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9678656 1.00 TDP1 (0.52) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL5518322 0.90 ALOX15 (0.54) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL10045100 0.89 TDP1 (0.52) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL7522951 0.88 ALOX15 (0.56) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL427900 0.88 TDP1 (0.59) TDP1CYP1A2CYP2C19ALOX15MEN1
Hydrochloric Acid SCHEMBL6114403 0.86 UBE2N (0.58) TDP1CYP1A2CYP2C19ALOX15MEN1
Hydrochloric Acid SCHEMBL28341342 0.86 UBE2N (0.58) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL323710 0.86 TDP1 (0.61) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL322792 0.84 ALOX15 (0.54) TDP1CYP1A2CYP2C19ALOX15MEN1
SCHEMBL4562189 0.84 PAOX (0.55) TDP1CYP1A2CYP2C19ALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 US disclosed
US-5498522-A ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS HEALTH RESEARCH, INC. (US) 1996-03-12 US disclosed
EP-0568338-A2 Methods for the use of spermidine/spermine N'-acetyltransferase as a progonostic indicator and/or a tumor response marker HEALTH RESEARCH, INC. (US) 1993-11-03 EP 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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 TDP1 1639/4885CYP1A2 3146/4885CYP2C19 1807/4885

“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.