SCHEMBL1831586

SCHEMBL1831586

CC(CN)Nc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FDPS P14324 1/20 0.46
CXCR4 P61073 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX12 P18054 1/20 0.42
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL16041382 0.86 KDM4E (0.44) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL29888494 0.86 KDM4E (0.44) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL24568583 0.83 HCAR3 (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL6442872 0.83 HCAR3 (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL19581191 0.81 KDM4E (0.46) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL4969090 0.81 FDPS (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL7465452 0.81 FDPS (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL4969096 0.81 FDPS (0.50) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL6439928 0.80 TLR8 (0.47) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL21018364 0.80 TLR8 (0.47) KDM4EHTTNPSR1L3MBTL1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753457-B1 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RES & DEV (IL) 2016-08-10 EP disclosed
EP-2322173-B1 Cationic bacteriochlorophyll derivatives and uses thereof YEDA RES & DEV (IL) 2016-08-10 EP disclosed
US-8207154-B2 Palladium 31-oxo-15- methoxycarbonylmethyl- Rhodobacteriochlorin-131-(2-N3- trimethylammoniumethyl)amide acetate (salt); bacteriochlorophylls free of carbamate group; as photosensitizer for thermodynamic therapy and diagnosis; cancer, age related macular degeneration; killing viruses and bacteria YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-06-26 US disclosed
EP-2322173-A1 Cationic bacteriochlorophyll derivatives and uses thereof YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2011-05-18 EP disclosed
US-20080076748-A1 Catatonic Bacteriochlorophyll Derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2008-03-27 US disclosed
EP-1753457-A2 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO., Ltd. (IL) 2007-02-21 EP disclosed
WO-2005120573-A2 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-12-22 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 (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-20080076748-A1 Catatonic Bacteriochlorophyll Derivatives CAT, PPOX, SCLY KDM4E 4346/4885HTT 3352/4885NPSR1 4354/4885

“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.