SCHEMBL1304709

SCHEMBL1304709

FC(F)(F)c1[c]cnn1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.46
AVPR1A P37288 2/20 0.46
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
HTT P42858 2/20 0.37
SLC11A2 P49281 2/20 0.36
CYP17A1 P05093 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
BACE1 P56817 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2 Q05397 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
SCHEMBL2902281 0.80 OXTR (0.31) OXTRAVPR1A
SCHEMBL2897752 0.76 EPHX2 (0.47) GAATRPV1HTTCYP17A1
SCHEMBL219809 0.76 SMN1; SMN2 (0.41) RAB9AKDM4EGAAHTTSMN1; SMN2
SCHEMBL15015880 0.75 HTR3E (0.36) RAB9AKMT2A
SCHEMBL15016120 0.75 KMT2A (0.33) RAB9ASMN1; SMN2ACHEKMT2A
SCHEMBL1303649 0.74 RAB9A (0.38) OXTRAVPR1ARAB9ACYP17A1SMN1; SMN2
SCHEMBL2897661 0.74 EPHX2 (0.35) KDM4EGAATRPV1CYP17A1KMT2A
SCHEMBL2903040 0.74 CYP17A1 (0.35) TRPV1CYP17A1
SCHEMBL2893944 0.74 TRPA1 (0.41) TRPV1CYP17A1
SCHEMBL2893959 0.73 ALDH1A1 (0.42) KDM4ETRPV1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342196-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2015-07-29 EP disclosed
US-8729083-B2 Pyrazole compounds for controlling invertebrate pests BASF SE (DE) 2014-05-20 US disclosed
US-20110269770-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2011-11-03 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 (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-20110269770-A1 Pyrazole Compounds for Controlling Invertebrate Pests GRIN2C, GRIN2D, NR2C2 OXTR 344/4885AVPR1A 231/4885PDCD1 4411/4885

“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.