SCHEMBL5550564

SCHEMBL5550564

C=CC[N+](C)(CC=C)CCCCCC[N+](C)(CC=C)CC=C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
APEX1 P27695 3/20 0.38
NFKB1 P19838 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 1/20 0.38
BBOX1 O75936 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
DNM1 Q05193 7/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.30

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
SCHEMBL13779370 1.00 KMT2A (0.38) KMT2AMEN1APEX1NFKB1KDM4E
Bromide SCHEMBL5550573 0.97 MEN1 (0.41) KMT2AMEN1APEX1NFKB1KDM4E
Hydrochloric Acid SCHEMBL7979134 0.97 APEX1 (0.41) KMT2AMEN1APEX1NFKB1KDM4E
Bromide SCHEMBL5551175 0.97 MEN1 (0.41) KMT2AMEN1APEX1NFKB1KDM4E
Bromide SCHEMBL27245942 0.94 BBOX1 (0.38) KMT2AMEN1APEX1NFKB1KDM4E
SCHEMBL13779334 0.92 BBOX1 (0.39) KMT2AACHEBBOX1ATM
Bromide SCHEMBL11035558 0.91 MEN1 (0.55) KMT2AMEN1APEX1NFKB1KDM4E
SCHEMBL1137486 0.91 DNM1 (0.48) KMT2ATSHRDNM1HTT
SCHEMBL28407643 0.91 DNM1 (0.48) KMT2ATSHRDNM1HTT
SCHEMBL7260032 0.91 DNM1 (0.48) KMT2ATSHRDNM1HTT

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-20070190021-A1 Poly(diallylamine)-based bile acid sequestrants HOLMES-FARLEY STEPHEN R 2007-08-16 US disclosed
US-7125547-B2 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION (US) 2006-10-24 US disclosed
US-20040151687-A1 Poly(diallylamine)-based bile acid sequestrants GENZYME CORPORATION 2004-08-05 US disclosed
US-6610283-B1 Method for removing bile acids from a patient and certain polymers of use in the method. The method comprises the step of administering to the patient a therapeutically effective amount of a polymer composition which includes a a GENZYME CORPORATION 2003-08-26 US disclosed
US-6203785-B1 ADMINISTERING CROSSLINKED CATIONIC POLYMER ANTICHOLESTEROL AGENTS GELTEX PHARMACEUTICALS, INC. 2001-03-20 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-20070190021-A1 Poly(diallylamine)-based bile acid sequestrants NR1H4, SLC10A2, SLC10A1 KMT2A 3269/4885MEN1 3103/4885APEX1 4065/4885
US-20040151687-A1 Poly(diallylamine)-based bile acid sequestrants NR1H4, SLC10A2, SLC10A1 KMT2A 2729/4885MEN1 3831/4885APEX1 4383/4885

“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.