SCHEMBL12412592

SCHEMBL12412592

CC(=O)c1ccc(CN(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
HCAR3 P49019 2/20 0.41
KCNJ1 P48048 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PYCR1 P32322 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 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
SCHEMBL1713633 0.87 HCAR3 (0.55) ALDH1A1HCAR3KDM4EALOX15HSD17B10
Hydrochloric Acid SCHEMBL2821116 0.86 HCAR3 (0.54) ALDH1A1HCAR3KDM4EALOX15HSD17B10
SCHEMBL27810972 0.86 HCAR3 (0.54) ALDH1A1HCAR3KDM4EALOX15HSD17B10
SCHEMBL2706310 0.83 ALDH1A1 (0.46) ALDH1A1HCAR3HDAC6CXCR1CXCR2
SCHEMBL250023 0.83 MAPK1 (0.56) KMT2AALDH1A1MEN1HDAC6L3MBTL1
SCHEMBL6351750 0.80 CA12 (0.47) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL31098145 0.79 KCNJ1 (0.45) KMT2AMEN1HCAR3KCNJ1L3MBTL1
SCHEMBL14023317 0.79 KCNJ1 (0.45) KMT2AHCAR3KCNJ1L3MBTL1GAA
SCHEMBL2749675 0.79 KCNJ1 (0.45) KMT2AMEN1HCAR3KCNJ1L3MBTL1
SCHEMBL12639886 0.77 KCNJ1 (0.44) KMT2AALDH1A1HCAR3KCNJ1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2018-08-09 US disclosed
US-9968554-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-15 US disclosed
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-12-04 US disclosed
US-8790691-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-29 US disclosed
US-8568772-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-29 US disclosed
US-8545876-B1 Modified drugs for use in liposomal nanoparticles UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-01 US disclosed
US-8545877-B2 Modified drugs for use in liposomal nanoparticles UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-10-01 US disclosed
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-12 US disclosed
US-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES UNIV BRITISH COLUMBIA (CA) 2013-09-05 US disclosed
US-8324410-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-12-04 US disclosed
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 US disclosed
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-07-07 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 (7 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-20130230582-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 KMT2A 3264/4885ALDH1A1 1591/4885MEN1 1118/4885
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles ABCB11, SLC47A1, ABCB1 KMT2A 3758/4885ALDH1A1 1273/4885MEN1 1141/4885
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 KMT2A 3264/4885ALDH1A1 1591/4885MEN1 1118/4885
US-20130236534-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 KMT2A 3264/4885ALDH1A1 1591/4885MEN1 1118/4885
US-20130230583-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, ABCB1, SLC43A1 KMT2A 3264/4885ALDH1A1 1591/4885MEN1 1118/4885
US-20180221279-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 KMT2A 3758/4885ALDH1A1 1273/4885MEN1 1141/4885
US-20140356417-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES ABCB11, SLC47A1, ABCB1 KMT2A 3758/4885ALDH1A1 1273/4885MEN1 1141/4885

“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.