SCHEMBL3101015

SCHEMBL3101015

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

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3109810 0.90 LMNA (0.33) LMNANPC1RAB9AHPGDTP53
SCHEMBL3110152 0.89 NPC1 (0.32) LMNANPC1RAB9AHPGDTP53
SCHEMBL3113142 0.87 DRD3 (0.35) LMNACA1CA2HPGD
SCHEMBL3110825 0.85 TDP1 (0.34) LMNATP53SMN1; SMN2
SCHEMBL3115305 0.85 MEN1 (0.32)
SCHEMBL3110847 0.84 MEN1 (0.31)
SCHEMBL3112252 0.83 KDM4E (0.31) HPGDL3MBTL1
SCHEMBL3107963 0.83 PPARD (0.35) LMNA
SCHEMBL3110169 0.81 FAP (0.33) LMNA
SCHEMBL3641457 0.80 HTT (0.35) TP53

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 6 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-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 LMNA 777/4885CA1 1294/4885CA2 1157/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 LMNA 777/4885CA1 1294/4885CA2 1157/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 LMNA 777/4885CA1 1294/4885CA2 1157/4885

“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.