SCHEMBL3107673

SCHEMBL3107673

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
FAP Q12884 1/20 0.33
TACR1 P25103 4/20 0.33
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
P2RX1 P51575 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
CCR1 P32246 2/20 0.32
PDK2 Q15119 2/20 0.32
ACLY P53396 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
VEGFA P15692 1/20 0.30
FLT1 P17948 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL3105544 0.94 FAP (0.35) MRGPRX4FAPTACR1RHOCRHOA
SCHEMBL3099384 0.94 TACR1 (0.32) MRGPRX4TACR1RHOCRHOAP2RX1
SCHEMBL18054752 0.93 TACR1 (0.33) TACR1P2RX1TMPRSS4LMNAHPGD
SCHEMBL3104661 0.92 FAP (0.35) FAPTACR1RHOCRHOAP2RX1
Esafoxolaner SCHEMBL18054742 0.92 PTGES (0.33) TACR1RHOCRHOAP2RX1TMPRSS4
Afoxolaner SCHEMBL29367347 0.92 PTGES (0.33) TACR1RHOCRHOAP2RX1TMPRSS4
Afoxolaner SCHEMBL119580 0.92 PTGES (0.33) TACR1RHOCRHOAP2RX1TMPRSS4
Afoxolaner SCHEMBL29358921 0.92 PTGES (0.33) TACR1RHOCRHOAP2RX1TMPRSS4
Afoxolaner SCHEMBL18054743 0.92 PTGES (0.33) TACR1RHOCRHOAP2RX1TMPRSS4
Esafoxolaner SCHEMBL29413811 0.92 PTGES (0.33) TACR1RHOCRHOAP2RX1TMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP claimed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US claimed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 US claimed
US-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US claimed
EP-3222618-B1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2020-09-09 EP 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 MRGPRX4 712/4885FAP 3882/4885TACR1 983/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 MRGPRX4 712/4885FAP 3882/4885TACR1 983/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 MRGPRX4 712/4885FAP 3882/4885TACR1 983/4885

“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.