SCHEMBL3107706

SCHEMBL3107706

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.38
P2RX1 P51575 2/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
CCR1 P32246 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
LMNA P02545 1/20 0.33
SORT1 Q99523 2/20 0.32
TMPRSS4 Q9NRS4 1/20 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
SCHEMBL3115119 0.91 MEN1 (0.36) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL3105544 0.91 FAP (0.35) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL3110704 0.90 TACR1 (0.34) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL3104915 0.90 TACR1 (0.34) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL3102889 0.89 EGLN1 (0.34) TACR1P2RX7EGLN1
SCHEMBL870579 0.89 MEN1 (0.36) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL869923 0.89 P2RX1 (0.36) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL3096698 0.88 FAP (0.38) TACR1LMNA
SCHEMBL3641940 0.88 POLB (0.34) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL872236 0.88 RXRA (0.34) TACR1P2RX1P2RX3P2RX4P2RX7

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
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP disclosed
EP-2158188-B1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2017-04-26 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 TACR1 983/4885P2RX1 488/4885P2RX3 277/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 TACR1 983/4885P2RX1 488/4885P2RX3 277/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 TACR1 983/4885P2RX1 488/4885P2RX3 277/4885

“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.