SCHEMBL979449

SCHEMBL979449

O=C(c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2sccc12)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
HTT P42858 2/20 0.33
TLR8 Q9NR97 1/20 0.33
GABRA2 P47869 5/20 0.32
GABRB2 P47870 5/20 0.32
GABRP O00591 4/20 0.32
GABRD O14764 4/20 0.32
GABRA1 P14867 4/20 0.32
GABRB1 P18505 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA4 P48169 4/20 0.32
GABRE P78334 4/20 0.32
GABRA6 Q16445 4/20 0.32
GABRG1 Q8N1C3 4/20 0.32
GABRG3 Q99928 4/20 0.32
GABRQ Q9UN88 4/20 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
SCHEMBL2830708 0.78 HTT (0.52) RORCHTTIDO1ALDH1A1HPGD
SCHEMBL980011 0.75 GABRA2 (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL2863488 0.70 RORC (0.52) RORCHTTALDH1A1HPGDMAPT
SCHEMBL6975897 0.63 GABRB3 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL15697514 0.62 JAK2 (0.54) RORCRORBMEN1ALDH1A1KMT2A
SCHEMBL30094862 0.62 JAK2 (0.54) RORCRORBMEN1ALDH1A1KMT2A
SCHEMBL10676858 0.61 GABRB3 (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10678078 0.59 GABRA2 (0.40) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL979677 0.59 MAPK1 (0.53) HTTIDO1MEN1ALDH1A1KMT2A
SCHEMBL10679158 0.59 GABRA2 (0.38) HTTGABRA2GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2011-01-27 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-20110021543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PESTICIDES DDT, TYR, CAT RORC 2101/4885RORB 3163/4885HTT 40/4885

“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.