SCHEMBL13852011

SCHEMBL13852011

O=C(Nc1ccc2ncsc2c1C1CCN(C/C=C/c2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR3 P51677 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 2/20 0.33
DHCR7 Q9UBM7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4172380 0.88 MCHR1 (0.40) MCHR1NPC1RAB9APOLBRXFP1
SCHEMBL4172390 0.88 MCHR1 (0.40) MCHR1NPC1RAB9APOLBRXFP1
SCHEMBL13852013 0.87 MCHR1 (0.41) MCHR1NPC1RAB9APOLBKMT2A
SCHEMBL13852009 0.82 MCHR1 (0.42) MCHR1MEN1KMT2APROKR1EBP
SCHEMBL83172 0.82 MCHR1 (0.44) MCHR1POLBPROKR1EBPSIGMAR1
SCHEMBL13852007 0.82 MCHR1 (0.37) MCHR1NPC1RAB9APOLBRXFP1
SCHEMBL13852012 0.81 MCHR1 (0.39) MCHR1POLBPROKR1EBPSIGMAR1
SCHEMBL74318 0.80 CCR3 (0.44) MCHR1KMT2ACCR3
SCHEMBL74317 0.80 CCR3 (0.44) MCHR1KMT2ACCR3
SCHEMBL74213 0.80 MCHR1 (0.45) MCHR1NPC1RAB9APOLBMEN1

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 831/4885NPC1 1577/4885RAB9A 54/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX MCHR1 1623/4885NPC1 1914/4885RAB9A 655/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 MCHR1 745/4885NPC1 1763/4885RAB9A 93/4885

“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.