SCHEMBL13852012

SCHEMBL13852012

O=C(Nc1ccc2cn[nH]c2c1C1CCN(C/C=C/c2ccc(Cl)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.35
GRIN2B Q13224 4/20 0.35
PROKR1 Q8TCW9 1/20 0.35
DHCR7 Q9UBM7 1/20 0.34
F10 P00742 2/20 0.34
CCR3 P51677 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 0.85 MCHR1 (0.42) MCHR1ALDH1A1SMN1; SMN2EBPSIGMAR1
SCHEMBL83172 0.83 MCHR1 (0.44) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL13852013 0.83 MCHR1 (0.41) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL14508500 0.82 MCHR1 (0.38) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL13852011 0.81 MCHR1 (0.40) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL4172380 0.81 MCHR1 (0.40) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL4172390 0.81 MCHR1 (0.40) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL73202 0.81 MCHR1 (0.43) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL73203 0.81 MCHR1 (0.43) MCHR1ALDH1A1POLBNPSR1SMN1; SMN2
SCHEMBL9884600 0.81 MCHR1 (0.42) MCHR1SMN1; SMN2EBPSIGMAR1LMNA

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
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-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
WO-2007072143-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-06-28 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 (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 831/4885ALDH1A1 857/4885POLB 3887/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX MCHR1 1623/4885ALDH1A1 1686/4885POLB 1718/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 MCHR1 745/4885ALDH1A1 630/4885POLB 3986/4885

“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.