SCHEMBL978451

SCHEMBL978451

CCc1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SSTR5 P35346 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HTT P42858 1/20 0.31
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL980733 0.88 SSTR5 (0.37) SSTR5RXRARXRBRXRG
SCHEMBL1610695 0.85 HTT (0.39) SSTR5HTTPDE3BPDE3A
SCHEMBL1609844 0.84 KIF11 (0.38) PDE3BPDE3A
SCHEMBL3032157 0.83 HTT (0.35) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL979277 0.81 TACR1 (0.32)
SCHEMBL980720 0.81 PDE2A (0.33)
SCHEMBL979360 0.81 KIF11 (0.35)
SCHEMBL20341696 0.80
SCHEMBL3040032 0.80 HTT (0.33) HTT
SCHEMBL569654 0.79 AKR1C3 (0.31)

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-8318757-B2 Substituted isoxazoline compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-13 US disclosed
EP-2199287-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-06-23 EP 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-20110009438-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT CCR10, H1-10, CCL11 NPC1 1731/4885RAB9A 125/4885SMN1; SMN2 2008/4885

“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.