SCHEMBL3113907

SCHEMBL3113907

CCNC(=O)CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.32
GPR139 Q6DWJ6 3/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
FAP Q12884 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3099384 0.94 TACR1 (0.32) PDK2
SCHEMBL1036065 0.94 PDK2 (0.36) PDK2
SCHEMBL3108150 0.94 PDK2 (0.34) PDK2GPR139MEN1KMT2AFAP
SCHEMBL3113195 0.92 PTGES (0.32) MEN1KMT2AFAPTDP1
SCHEMBL119082 0.92 PTGES (0.32) MEN1KMT2AFAPTDP1
SCHEMBL29416682 0.92 PTGES (0.32) MEN1KMT2AFAPTDP1
SCHEMBL20117288 0.92 PTGES (0.32) MEN1KMT2AFAPTDP1
SCHEMBL3636982 0.91 FAP (0.39) PDK2MEN1KMT2AFAPTDP1
SCHEMBL3113552 0.91 GPR139 (0.35) GPR139MEN1KMT2AFAPTDP1
SCHEMBL3104838 0.91 MEN1 (0.33) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-B1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2020-09-09 EP disclosed
WO-2017176948-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER MERIAL, INC. (US) 2017-10-12 WO disclosed
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP disclosed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US disclosed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 US disclosed
US-8410153-B2 Naphthalene isoxazoline invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 US disclosed
US-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 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 (3 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-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS C1S, C1R, C9 PDK2 2229/4885GPR139 1150/4885MEN1 2671/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 PDK2 2229/4885GPR139 1150/4885MEN1 2671/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 PDK2 2229/4885GPR139 1150/4885MEN1 2671/4885

“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.