SCHEMBL3113142

SCHEMBL3113142

CSCCNC(=O)c1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
DGAT2 Q96PD7 4/20 0.34
CCR1 P32246 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL3106959 0.89 DRD2 (0.38) DRD3HTR1ADRD2HTR2AALDH1A1
SCHEMBL3111704 0.88 ELANE (0.35) DRD3HTR1ADRD2HTR2AALDH1A1
SCHEMBL3109810 0.87 LMNA (0.33) KDM4EHTTLMNAHPGD
SCHEMBL3101015 0.87 LMNA (0.31) LMNAHPGDCA1CA2
SCHEMBL3110152 0.86 NPC1 (0.32) DRD2ALDH1A1NPSR1MAPTLMNA
SCHEMBL3097102 0.84 GPR139 (0.41) CCR1NPSR1HTTLMNAHPGD
SCHEMBL3115878 0.84 HTT (0.35) HTR1ADRD2HTR2AALDH1A1DGAT2
SCHEMBL870579 0.83 MEN1 (0.36)
SCHEMBL875201 0.83 OPRM1 (0.35) DRD3HTR1ADRD2HTR2ADGAT2
SCHEMBL875203 0.83 OPRM1 (0.35) DRD3HTR1ADRD2HTR2ADGAT2

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
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
EP-2158188-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. Du Pont de Nemours and Company (US) 2010-03-03 EP disclosed
WO-2009002809-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 WO 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 DRD3 81/4885HTR1A 1543/4885DRD2 818/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 DRD3 81/4885HTR1A 1543/4885DRD2 818/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 DRD3 81/4885HTR1A 1543/4885DRD2 818/4885

“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.