SCHEMBL4176925

SCHEMBL4176925

CC(C)OC(=O)Nc1c(F)cncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
NPC1 O15118 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
MAP4K1 Q92918 1/20 0.40
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 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
SCHEMBL4168512 0.79 ROCK2 (0.44) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL4173469 0.79 MAPT (0.49) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL4167659 0.79 HPGD (0.44) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL19768991 0.75 NLRP3 (0.35) SMN1; SMN2KDM4EMAPK1PDE4APDE4B
SCHEMBL20621278 0.71 TSHR (0.40) HPGDCYP1A2SMN1; SMN2KDM4EMAPT
SCHEMBL19780139 0.70 KMT2A (0.33) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL75420 0.70 KDM4E (0.51) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL31286662 0.70 MEN1 (0.54) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL4881032 0.69 KDM4E (0.54) HPGDCYP1A2NPC1CYP2D6CYP2C9
SCHEMBL4174121 0.69 HPGD (0.62) HPGDCYP1A2NPC1CYP2D6CYP2C9

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 HPGD 4431/4885CYP1A2 859/4885NPC1 1577/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX HPGD 4396/4885CYP1A2 338/4885NPC1 1914/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 HPGD 4257/4885CYP1A2 509/4885NPC1 1763/4885

“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.