SCHEMBL3722072

SCHEMBL3722072

Nc1ccc(OC(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.56
GPR3 P46089 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SCN5A Q14524 2/20 0.44
GAA P10253 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
SLC6A2 P23975 1/20 0.44
SCN4A P35499 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL1241806 0.89 FFAR4 (0.55) FFAR4GPR3NPC1RAB9ASCN5A
SCHEMBL710315 0.83 NR4A1 (0.54) FFAR4RAB9AGAASMN1; SMN2AR
SCHEMBL8146457 0.82 NR4A1 (0.52) FFAR4RAB9AGAALMNACYP3A4
SCHEMBL29546263 0.81 NR4A1 (0.56) FFAR4GPR3NPC1RAB9ASCN5A
SCHEMBL442684 0.81 NR4A1 (0.56) FFAR4GPR3NPC1RAB9ASCN5A
SCHEMBL29463893 0.80 GPR3 (0.44) FFAR4GPR3NPC1RAB9ASCN5A
SCHEMBL77088 0.80 FFAR4 (0.56) FFAR4RAB9AGAACYP3A4BLM
SCHEMBL11832556 0.80 GPR3 (0.44) FFAR4GPR3NPC1RAB9ASCN5A
SCHEMBL29961263 0.80 FFAR4 (0.56) FFAR4RAB9AGAACYP3A4BLM
Hydrochloric Acid SCHEMBL9526864 0.79 NR4A1 (0.54) FFAR4GPR3NPC1RAB9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081149-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
EP-1326845-B1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS BAYER HEALTHCARE AG (DE) 2005-12-14 EP disclosed
US-20040044055-A1 N-alkoxlyalkyl-substituted benzimidazoles and the use thereof as an agent against parastic protozoans BAYER AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
EP-1326845-A1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
WO-2002030909-A1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-18 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 (1 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-20040044055-A1 N-alkoxlyalkyl-substituted benzimidazoles and the use thereof as an agent against parastic protozoans PIGO, EPX, PIGK FFAR4 3110/4885GPR3 772/4885NPC1 351/4885

“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.