SCHEMBL3015969

SCHEMBL3015969

NCCCNCC(O)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA6 P23280 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA5B Q9Y2D0 4/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA5A P35218 3/20 0.48
CASP2 P42575 2/20 0.48
F13A1 P00488 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
THPO P40225 2/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA3 P07451 2/20 0.46

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
SCHEMBL28834532 0.93 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL24459735 0.91 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL3013403 0.90
SCHEMBL7762477 0.90 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL4172955 0.84 PKM (0.35) CA12CA6CA7CA9CA14
SCHEMBL9816759 0.84 CASP2 (0.59) CA12CA6CA7CA9CA14
SCHEMBL2604431 0.84 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL11042132 0.82 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL22460534 0.81 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL9325021 0.81 CA12 (0.52) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
US-4340756-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1982-07-20 US disclosed
US-4260760-A BACTERICIDES, ALGICIDES MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4172094-A Polyamine compounds MERCK & CO., INC. (US) 1979-10-23 US disclosed
US-4100193-A MICROBIOCIDES, ALGAE INHIBITORS MERCK & CO., INC. (US) 1978-07-11 US disclosed
US-4091020-A CONDENSATION, CATALYTIC DECARBOXYLATION MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4065497-A MICROBIOCIDES, ALGICIDES MERCK & CO., INC. (US) 1977-12-27 US disclosed
US-4061775-A Polyamine compounds as antibacterial agents MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4060639-A Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines MERCK & CO., INC. (US) 1977-11-29 US disclosed
US-4058624-A Broad spectrum antibacterial compositions containing tris (hydroxymethyl)-aminomethane and diphenyl and loweralkyl substituted diphenyl polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4058625-A Broad spectrum antimicrobial compositions containing tris-(hydroxymethyl)aminomethane and polyamines MERCK & CO., INC. (US) 1977-11-15 US disclosed
US-4049417-A CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS MERCK & CO., INC. (US) 1977-09-20 US disclosed
US-4003934-A ANTIMICROBIAL AGENTS, ALGAE INHIBITORS MERCK & CO., INC. (US) 1977-01-18 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-20100189656-A1 CONTRAST AGENTS IPO4, TPO, IPO11 CA12 949/4885CA6 774/4885CA7 168/4885

“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.