SCHEMBL277328

SCHEMBL277328

O=CCN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 1/20 0.63
LIN28A Q9H9Z2 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KCNA5 P22460 1/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HRH1 P35367 1/20 0.41
CHRM2 P08172 1/20 0.40
CXCR4 P61073 1/20 0.39

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
SCHEMBL19876879 0.91 SMN1; SMN2 (0.73) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL31384028 0.89 TDP1 (0.59) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL12903540 0.82 MAPT (0.50) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL29956339 0.82 MAPT (0.50) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL138261 0.82 SMN1; SMN2 (0.83) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL4947409 0.81 SMN1; SMN2 (0.63) SMN1; SMN2MAPTLIN28ATDP1KCNA5
Hydrochloric Acid SCHEMBL9905725 0.80 SMN1; SMN2 (0.79) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL14357958 0.80 MAPT (0.79) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL31533187 0.80 SMN1; SMN2 (0.79) SMN1; SMN2MAPTLIN28ATDP1KCNA5
SCHEMBL31171174 0.80 SMN1; SMN2 (0.79) SMN1; SMN2MAPTLIN28ATDP1KCNA5

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-3052135-B1 INHIBITORS OF METALLO-BETA-LACTAMASE (MBL) COMPRISING A ZINC CHELATING MOIETY UNIV OSLO (NO) 2018-07-18 EP disclosed
US-8133474-B2 Porphyrin chelate compound that may be complexed with zinc, manganese, magnesium, iron or aluminum; capable of insertion into cell; zinc, calcium, mercury, cadmium, and lead analytes; determining shift in signal; medical diagnosis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-13 US disclosed
US-8133474-B2 Porphyrin chelate compound that may be complexed with zinc, manganese, magnesium, iron or aluminum; capable of insertion into cell; zinc, calcium, mercury, cadmium, and lead analytes; determining shift in signal; medical diagnosis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-13 US disclosed
US-7875258-B2 For use as radiopharmaceuticals; solid phase synthesis; conjugation with DNA and G-protein-coupled receptors; high binding affinity, high labeling yield, superior retention and versatility; labeling without the need for co-ligands; simplification MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2011-01-25 US disclosed
US-20090023787-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-01-22 US disclosed
US-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-06-12 US disclosed
US-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-06-12 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-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging CA2, SLC30A6, SLC39A3 SMN1; SMN2 876/4885MAPT 1124/4885LIN28A 2643/4885
US-20090023787-A1 TECHNETIUM-DIPYRIDINE COMPLEXES, AND METHODS OF USE THEREOF SLC7A5, SLC7A1, AADAT SMN1; SMN2 4102/4885MAPT 2979/4885LIN28A 2212/4885

“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.