SCHEMBL1838433

SCHEMBL1838433

Cc1cc(C(O)c2cc(C(F)(F)C(F)(F)F)n[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALPL P05186 1/20 0.34
MAPT P10636 6/20 0.34
ALDH1A1 P00352 5/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
KLF10 Q13118 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL551735 0.73 TSHR (0.42) TSHRMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL19179770 0.71 APP (0.48) TSHRMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL27945478 0.69 TSHR (0.51) TSHRMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1827885 0.69 MAPT (0.34) TSHRMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL26352809 0.68 TSHR (0.53) TSHRMAPTALDH1A1POLBRAB9A
SCHEMBL2883857 0.68 TSHR (0.53) TSHRMAPTALDH1A1POLBRAB9A
SCHEMBL26352787 0.68 TSHR (0.53) TSHRMAPTALDH1A1POLBRAB9A
SCHEMBL2161184 0.67 MAPT (0.36) TSHRMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1755269 0.66 MAPT (0.51) TSHRMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL27705159 0.66 TSHR (0.47) TSHRMAPTALDH1A1POLBSMN1; SMN2

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
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 TSHR 2047/4885ALPL 4676/4885MAPT 4079/4885

“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.