SCHEMBL3110152

SCHEMBL3110152

CSCCNC(=O)c1ccc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
PDK2 Q15119 2/20 0.31
HPGD P15428 2/20 0.31
PTGES O14684 1/20 0.31
MAPT P10636 2/20 0.30
NFKB1 P19838 2/20 0.30
NFKB2 Q00653 2/20 0.30
RELA Q04206 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL3110847 0.95 MEN1 (0.31)
SCHEMBL3109810 0.93 LMNA (0.33) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL870225 0.90 KMT2A (0.36) LMNAPDK2MAPTNPSR1DRD2
SCHEMBL3101015 0.89 LMNA (0.31) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL3110825 0.88 TDP1 (0.34) SMN1; SMN2LMNAPDK2NPSR1TP53
SCHEMBL3121198 0.88 PDK2 (0.31) PDK2DRD2DRD4
SCHEMBL3115305 0.87 MEN1 (0.32)
SCHEMBL3113142 0.86 DRD3 (0.35) LMNAHPGDMAPTNPSR1DRD2
SCHEMBL3112853 0.86
SCHEMBL3112851 0.86

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 16 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
US-9095138-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-20150098928-A9 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 US disclosed
US-20140127165-A1 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US disclosed
US-8623875-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
EP-2155701-B1 ISOXAZOLINE INSECTICIDES DU PONT (US) 2013-12-11 EP 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
US-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 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
EP-2155701-A2 ISOXAZOLINE INSECTICIDES E. I. Du Pont de Nemours and Company (US) 2010-02-24 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
WO-2008154528-A2 ISOXAZOLINE INSECTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-18 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 (6 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 NPC1 266/4885RAB9A 1701/4885SMN1; SMN2 3846/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 NPC1 266/4885RAB9A 1701/4885SMN1; SMN2 3846/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 NPC1 266/4885RAB9A 1701/4885SMN1; SMN2 3846/4885
US-20150098928-A9 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 NPC1 1154/4885RAB9A 1906/4885SMN1; SMN2 3132/4885
US-20140127165-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 NPC1 1154/4885RAB9A 1906/4885SMN1; SMN2 3132/4885
US-20100179195-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 NPC1 1154/4885RAB9A 1906/4885SMN1; SMN2 3132/4885

“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.