Sugi Predict

Sugi Predict / Compounds / SCHEMBL2521783

SCHEMBL2521783

SCHEMBL2521783

O=C(NCc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1F)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 3/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2524299 0.97 MTOR (0.37) MTORKMT2AALDH1A1POLBLMNA
SCHEMBL2522173 0.92 MTOR (0.37) MTORKMT2AALDH1A1POLBLMNA
SCHEMBL2518670 0.90 EPHX2 (0.38) KMT2AALDH1A1SMN1; SMN2POLBHDAC1
SCHEMBL14234006 0.88 EPHX2 (0.37) MTORKMT2AALDH1A1POLBHDAC1
SCHEMBL14685964 0.88 FFAR1 (0.33) ALDH1A1LMNAP2RX7
SCHEMBL2524696 0.87 MTOR (0.34) MTORPOLBEPHX2L3MBTL1
SCHEMBL2521270 0.87 RAB9A (0.36) ALDH1A1SMN1; SMN2POLBLMNARAB9A
SCHEMBL14233826 0.86 BIRC5 (0.38) KMT2AALDH1A1SMN1; SMN2POLBHDAC1
SCHEMBL12206633 0.86 MTOR (0.40) MTORKMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL2520969 0.86 TRPA1 (0.34) MTORKMT2AALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 — — EP claimed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 — — WO claimed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — US claimed
EP-2556060-A1 SUBSTITUTED 3,5- DIPHENYL-ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES AH USA 42 LLC (US) 2013-02-13 — — EP disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 — — WO disclosed
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 — — WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — US disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 — — 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 (1 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX MTOR 3940/4885KMT2A 846/4885ALDH1A1 271/4885

“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.