SCHEMBL13852013

SCHEMBL13852013

O=C(Nc1ccc2nccnc2c1C1CCN(C/C=C/c2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
PROKR1 Q8TCW9 1/20 0.37
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CCR3 P51677 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DHCR7 Q9UBM7 1/20 0.35
F10 P00742 2/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13852009 0.89 MCHR1 (0.42) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL4172390 0.87 MCHR1 (0.40) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL4172380 0.87 MCHR1 (0.40) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL13852011 0.87 MCHR1 (0.40) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL83172 0.84 MCHR1 (0.44) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL13852012 0.83 MCHR1 (0.39) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL74317 0.82 CCR3 (0.44) MCHR1CCR3KMT2A
SCHEMBL74318 0.82 CCR3 (0.44) MCHR1CCR3KMT2A
SCHEMBL74213 0.82 MCHR1 (0.45) MCHR1PROKR1EBPSIGMAR1CCR3
SCHEMBL73203 0.82 MCHR1 (0.43) MCHR1PROKR1EBPSIGMAR1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 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 (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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 MCHR1 831/4885PROKR1 2549/4885EBP 1260/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX MCHR1 1623/4885PROKR1 2973/4885EBP 1764/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 MCHR1 745/4885PROKR1 2706/4885EBP 1281/4885

“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.