Spermidine

Spermidine

SCHEMBL5555910

NC(=O)c1ccccc1.NCCCCNCCCN

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ GRIN1 Q05586 9/20 0.49
▸ GRIN2A Q12879 9/20 0.49
▸ GRIN2B Q13224 9/20 0.49
▸ CA12 O43570 1/20 0.48
▸ F13A1 P00488 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CYP1A2 P05177 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
Dipentylamine SCHEMBL28181756 0.83 NAAA (0.58) TSHRPOLBCYP3A4PARP1MAPT
Spermidine SCHEMBL25434620 0.82 F7 (0.63) CYP3A4GRIA1
SCHEMBL15065079 0.81 GRIN1 (0.63) GRIN1GRIN2AGRIN2BGRIA1
SCHEMBL15065078 0.80 GRIN1 (0.61) GRIN1GRIN2AGRIN2B
SCHEMBL12085668 0.80 GRIN1 (0.65) GRIN1GRIN2AGRIN2BGRIA1
Benzoic Acid SCHEMBL5547336 0.80 GRIN1 (0.47) TSHRGRIN1GRIN2AGRIN2BGRIA1
Benzamide SCHEMBL28182470 0.79 CYP3A4 (0.59) TSHRPOLBCYP3A4PARP1MAPT
SCHEMBL16577153 0.78 MAOA (0.53) CYP3A4MAPTTDP1L3MBTL1GRIN1
SCHEMBL5547338 0.78 TDP1 (0.62) TDP1GRIN1GRIN2AGRIN2BLMNA
Benzamide SCHEMBL14574628 0.77 LMNA (0.61) TSHRPOLBCYP3A4PARP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070202047-A1 Polyamine-substituted ligands for use as contrast agents DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2007-08-30 — — 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 (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-20070202047-A1 Polyamine-substituted ligands for use as contrast agents HNRNPH3, HRH3, HCAR3 TSHR 206/4885POLB 3489/4885CYP3A4 4761/4885

“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.

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