SCHEMBL1854580

SCHEMBL1854580

Cc1c(N)cccc1Cn1nc(C(F)(F)C(F)(F)F)nc1-c1ccc(Cl)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ESR1 P03372 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL1832926 0.82 NR1H3 (0.40) ESR1KCNH2MEN1GAAKMT2A
SCHEMBL1835592 0.78 MEN1 (0.34) ESR1KCNH2MEN1GAAKMT2A
SCHEMBL1833879 0.78 SIGMAR1 (0.36) ESR1KCNH2POLBALDH1A1MAPT
SCHEMBL2161767 0.75 CYP1A2 (0.39) MEN1GAAKMT2APOLBALDH1A1
SCHEMBL2161264 0.74 ESR1 (0.32) ESR1KCNH2POLBALDH1A1
SCHEMBL12402747 0.71 ESR1 (0.37) ESR1KCNH2MEN1GAAKMT2A
SCHEMBL2161395 0.71 KDM4E (0.35) MEN1KMT2AALDH1A1
SCHEMBL1834507 0.70 ESR1 (0.36) ESR1KCNH2MEN1GAAKMT2A
SCHEMBL1831398 0.69 ESR1 (0.35) ESR1KCNH2MEN1GAAKMT2A
SCHEMBL34461084 0.65 AVPR2 (0.35) AVPR2AVPR1AGABRPGABRDGABRA1

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
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

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 AVPR2 1312/4885AVPR1A 1532/4885GABRP 406/4885

“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.