SCHEMBL19862737

SCHEMBL19862737

CC(C)(C)CCCNCCCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA6 P23280 5/20 0.57
CA7 P43166 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 5/20 0.57
CA5B Q9Y2D0 5/20 0.57
CA2 P00918 4/20 0.57
CA4 P22748 4/20 0.57
CA5A P35218 4/20 0.57
ALOX15 P16050 3/20 0.57
CASP2 P42575 2/20 0.57
F13A1 P00488 2/20 0.57
CYP1A2 P05177 2/20 0.57
THPO P40225 2/20 0.57
MEN1 O00255 2/20 0.57
RECQL P46063 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CA3 P07451 3/20 0.55

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
SCHEMBL19866282 0.98 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL19866281 0.98 CASP2 (0.62) CA12CA6CA7CA9CA14
SCHEMBL13304783 0.92 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL12927025 0.90 CA12 (0.57) CA12CA6CA7CA9CA14
SCHEMBL19604278 0.90 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL19866279 0.88 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL19866278 0.88 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL2397649 0.87 CYP2C19 (0.40) CA12CA6CA7CA9CA14
SCHEMBL19504379 0.84 CYP2C19 (0.38) CA12CA6CA7CA9CA14
SCHEMBL342046 0.83 CA12 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729701-B2 Compounds that are analogs of squalamine, used as antibacterial agents VIRBAC (FR) 2020-08-04 US disclosed
US-20180042942-A1 Compounds that are Analogs of Squalamine, Used as Antibacterial Agents VIRBAC (FR) 2018-02-15 US disclosed
US-20180042942-A1 Compounds that are Analogs of Squalamine, Used as Antibacterial Agents VIRBAC (FR) 2018-02-15 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-20180042942-A1 Compounds that are Analogs of Squalamine, Used as Antibacterial Agents SQLE, MTX1, SPIN1 CA12 2990/4885CA6 2019/4885CA7 1859/4885
US-10729701-B2 Compounds that are analogs of squalamine, used as antibacterial agents SQLE, MTX1, SPIN1 CA12 2990/4885CA6 2019/4885CA7 1859/4885

“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.