SCHEMBL4159439

SCHEMBL4159439

C=Cc1ccc(CNCCNCc2ccc(C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM2 P08172 5/20 0.41
MAOA P21397 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
Hydrochloric Acid SCHEMBL7047762 0.98 MEN1 (0.48) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL11146572 0.91 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL16389231 0.90 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL13926497 0.90 CHRM2 (0.50) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL14275024 0.90 MAOA (0.55) ALDH1A1CHRM2MAOAHRH4HRH3
SCHEMBL7935225 0.89 MC4R (0.45) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL28585721 0.88 SMN1; SMN2 (0.50) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL15927522 0.88 HRH4 (0.47) ALDH1A1MEN1KMT2ATDP1CHRM2
SCHEMBL4017967 0.88 MC4R (0.47) ALDH1A1MEN1KMT2ATDP1CHRM2
Hydrochloric Acid SCHEMBL7123283 0.87 MC4R (0.44) ALDH1A1MEN1KMT2ATDP1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150196586-A1 POLYMERIC MOLECULAR RECEPTORS AS PHOSPHATE SEQUESTRANTS GENZYME CORPORATION 2015-07-16 US disclosed
US-20150196586-A1 POLYMERIC MOLECULAR RECEPTORS AS PHOSPHATE SEQUESTRANTS GENZYME CORPORATION 2015-07-16 US disclosed
US-20150196586-A1 POLYMERIC MOLECULAR RECEPTORS AS PHOSPHATE SEQUESTRANTS GENZYME CORPORATION 2015-07-16 US disclosed
US-8986669-B2 Method for removing phosphate and polymer used therefore GENZYME CORPORATION (US) 2015-03-24 US disclosed
US-8986669-B2 Method for removing phosphate and polymer used therefore GENZYME CORPORATION (US) 2015-03-24 US disclosed
US-8986669-B2 Method for removing phosphate and polymer used therefore GENZYME CORPORATION (US) 2015-03-24 US disclosed
US-20090162314-A1 Magnesium-Containing Polymers for the Treatment of Hyperphosphatemia GENZYME CORPORATION 2009-06-25 US disclosed
US-20090047233-A1 Method for removing Phosphate and Polymer Used Therefore GENZYME CORPORATION 2009-02-19 US disclosed
US-20090047233-A1 Method for removing Phosphate and Polymer Used Therefore GENZYME CORPORATION 2009-02-19 US disclosed
US-20090047233-A1 Method for removing Phosphate and Polymer Used Therefore GENZYME CORPORATION 2009-02-19 US disclosed
EP-1951266-A2 METHOD FOR REMOVING PHOSPHATE AND POLYMER USED THEREFORE Genzyme Corporation (US) 2008-08-06 EP disclosed
EP-1945196-A2 MAGNESIUM-CONTAINING POLYMERS FOR HYPERPHOSPHATEMIA Genzyme Corporation (US) 2008-07-23 EP disclosed
WO-2007056405-A2 MAGNESIUM-CONTAINING POLYMERS FOR THE TREATMENT OF HYPERPHOSPHATEMIA GENZYME CORPORATION (US) 2007-05-18 WO disclosed
WO-2007027566-A2 METHOD FOR REMOVING PHOSPHATE AND POLYMER USED THEREFORE GENZYME CORPORATION (US) 2007-03-08 WO disclosed
WO-2007027566-A2 METHOD FOR REMOVING PHOSPHATE AND POLYMER USED THEREFORE GENZYME CORPORATION (US) 2007-03-08 WO 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 (3 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-20090047233-A1 Method for removing Phosphate and Polymer Used Therefore PHPT1, PNKP, PHYKPL ALDH1A1 4473/4885MEN1 1271/4885KMT2A 4501/4885
US-20150196586-A1 POLYMERIC MOLECULAR RECEPTORS AS PHOSPHATE SEQUESTRANTS PHPT1, SLC34A2, SLC34A1 ALDH1A1 4361/4885MEN1 2884/4885KMT2A 4429/4885
US-20090162314-A1 Magnesium-Containing Polymers for the Treatment of Hyperphosphatemia PPIP5K2, PHPT1, PHOSPHO1 ALDH1A1 4615/4885MEN1 13/4885KMT2A 2820/4885

“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.