SCHEMBL4171305

SCHEMBL4171305

CC(C)OC(=O)Nc1ccncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOB P27338 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
SCHEMBL4181475 0.82 BCHE (0.46) SMN1; SMN2HPGDALOX15NPC1CYP1A2
SCHEMBL4168512 0.82 ROCK2 (0.44) SMN1; SMN2HPGDALOX15NPC1CYP1A2
SCHEMBL4173469 0.79 MAPT (0.49) SMN1; SMN2HPGDALOX15PDE4APDE4B
SCHEMBL31707395 0.79 NOD2 (0.50) NOD2GALR3NR2F2PDE4APDE4B
SCHEMBL536056 0.79 NOD2 (0.50) NOD2GALR3NR2F2PDE4APDE4B
SCHEMBL4182709 0.78 KCNJ11 (0.41) SMN1; SMN2HPGDNPC1CYP1A2CYP2D6
SCHEMBL799896 0.78 SMN1; SMN2 (0.70) SMN1; SMN2HPGDALOX15NPC1CYP1A2
SCHEMBL26921540 0.75 GALR3 (0.54) NOD2GALR3NR2F2PDE4APDE4B
SCHEMBL11794832 0.75 HPGD (0.59) SMN1; SMN2HPGDALOX15NPC1CYP1A2
SCHEMBL4174121 0.74 HPGD (0.62) SMN1; SMN2HPGDALOX15NPC1CYP1A2

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 4 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-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 NOD2 1529/4885SMN1; SMN2 1147/4885GALR3 1108/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX NOD2 796/4885SMN1; SMN2 2993/4885GALR3 2804/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 NOD2 1667/4885SMN1; SMN2 919/4885GALR3 1349/4885

“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.