Sugi Predict

Sugi Predict / Compounds / SCHEMBL6707213

SCHEMBL6707213

SCHEMBL6707213

CCCN(CCC)CCCNCCCCNCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ CA12 O43570 2/20 0.54
▸ F13A1 P00488 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA6 P23280 2/20 0.54
▸ CA5A P35218 2/20 0.54
▸ THPO P40225 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ CA14 Q9ULX7 2/20 0.54
▸ CA5B Q9Y2D0 2/20 0.54
▸ CASP2 P42575 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54

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
SCHEMBL323046 0.98 TDP1 (0.59) TDP1CA12F13A1CA2CYP1A2
SCHEMBL7513632 0.96 ALOX15 (0.54) TDP1CA12F13A1CA2CYP1A2
SCHEMBL7513624 0.96 CA12 (0.52) TDP1CA12F13A1CA2CYP1A2
SCHEMBL324827 0.92 ALOX15 (0.52) TDP1CA12F13A1CA2CYP1A2
SCHEMBL6248722 0.92 TDP1 (0.57) TDP1CA12F13A1CA2CYP1A2
SCHEMBL323341 0.90 CA12 (0.50) TDP1CA12F13A1CA2CYP1A2
SCHEMBL324690 0.90 CA12 (0.50) TDP1CA12F13A1CA2CYP1A2
SCHEMBL11209433 0.89 TDP1 (0.54) TDP1CA12F13A1CA2CYP1A2
SCHEMBL10937085 0.89 TDP1 (0.59) TDP1CA12F13A1CA2CYP1A2
SCHEMBL6843614 0.88 TDP1 (0.53) TDP1CA12F13A1CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818656-B2 ADMINISTERING POLYAMINE TO TREAT DIARRHEA UNIVERSITY OF FLORIDA 2004-11-16 — — US disclosed
US-20040072864-A1 Method and composition for treatment of irritable bowel disease BERGERON RAYMOND J (US) 2004-04-15 — — US disclosed
US-6664270-B2 Utilizing small amounts of at least two polyamines; long term, safe, efficacious UNIVERSITY OF FLORIDA 2003-12-16 — — US disclosed
US-20030153582-A1 Method and composition for treatment of irritable bowel disease FLORIDA, UNIVERSITY OF 2003-08-14 — — US disclosed
US-6458795-B1 A METHOD AND COMPOSITION FOR TREATING IRRITABLE BOWEL SYNDROME IN A SUBJECT IN NEED OF SUCH TREATMENT, UTILIZING AN AMOUNT OF A POLYAMINE OR POLYAMINE WITH AN ETHER UNIVERSITY OF FLORIDA 2002-10-01 — — 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-20030153582-A1 Method and composition for treatment of irritable bowel disease HRH2, HRH4, HRH3 TDP1 4025/4885CA12 4223/4885F13A1 4090/4885
US-20040072864-A1 Method and composition for treatment of irritable bowel disease HRH2, HRH4, HRH3 TDP1 4025/4885CA12 4223/4885F13A1 4090/4885

“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.