SCHEMBL2222332

SCHEMBL2222332

Fc1cccc(F)c1C1CC(c2csc(N3CC4CNCC4C3)n2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.42
AR P10275 8/20 0.39
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
Hydrochloric Acid SCHEMBL15231133 0.82 FAAH (0.43) FAAHARNPC1RAB9ASMN1; SMN2
SCHEMBL2268188 0.80 FAAH (0.48) FAAH
SCHEMBL2222334 0.80 FAAH (0.36) FAAHAR
SCHEMBL2270790 0.77 FAAH (0.42) FAAHARNPC1RAB9ASMN1; SMN2
SCHEMBL2270795 0.77 FAAH (0.41) FAAHARNPC1RAB9ASMN1; SMN2
SCHEMBL15230250 0.77 FAAH (0.36) FAAHNPC1RAB9A
SCHEMBL15231196 0.75 FAAH (0.45) FAAHARNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL15231194 0.74 FAAH (0.44) FAAHARNPC1RAB9ASMN1; SMN2
SCHEMBL193616 0.74 FAAH (0.46) FAAH
Ammonia Solution, Strong SCHEMBL20798400 0.73 FAAH (0.45) FAAH

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
EP-2521450-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2015-02-25 EP disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
EP-2521450-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. Du Pont De Nemours And Company (US) 2012-11-14 EP disclosed
WO-2011085170-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-14 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-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 FAAH 2751/4885AR 3747/4885NPC1 649/4885

“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.