SCHEMBL112631

SCHEMBL112631

Cc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1Br

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL16681127 0.92 KDM4E (0.32) PDE3BPDE3ACA1CA2KDM4E
SCHEMBL30309323 0.92 KDM4E (0.32) PDE3BPDE3ACA1CA2KDM4E
SCHEMBL20341708 0.91 CA1 (0.31) CA1CA2HPGDKDM4EMAPT
SCHEMBL3362522 0.90 PDE3B (0.31) PDE3BPDE3ACA1CA2
SCHEMBL112187 0.90 CA1 (0.33) PDE3BPDE3ACA1CA2HPGD
Ammonia Solution, Strong SCHEMBL27893915 0.89 PDE3B (0.39) PDE3BPDE3AHPGDKDM4EMAPT
SCHEMBL112624 0.88 PDE3B (0.34) PDE3BPDE3AHPGD
SCHEMBL981082 0.87 HPGD (0.32) PDE3BPDE3ACA1CA2HPGD
SCHEMBL27893936 0.86 CA1 (0.31) PDE3BPDE3ACA1CA2
Hydrochloric Acid SCHEMBL27911067 0.86 PDE3B (0.34) PDE3BPDE3ACA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-9676692-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL CORPORATION (JP) 2015-04-30 US disclosed
US-9006447-B2 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2015-04-14 US disclosed
US-9006447-B2 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2015-04-14 US disclosed
US-8952175-B2 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-10 US disclosed
EP-2424862-B1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2014-10-08 EP disclosed
US-8853410-B2 Process for preparing substituted isoxazoline compounds and their precursors BASF SE (DE) 2014-10-07 US disclosed
US-8853410-B2 Process for preparing substituted isoxazoline compounds and their precursors BASF SE (DE) 2014-10-07 US disclosed
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2013-08-29 US disclosed
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2013-08-29 US disclosed
WO-2012059441-A2 METHOD FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS 4-CHLORO, 4-BROMO- OR 4-IODOBENZALDEHYDE OXIMES BASF SE (DE) 2012-05-10 WO disclosed
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors BASF SE (DE) 2012-03-08 US disclosed
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors BASF SE (DE) 2012-03-08 US disclosed
WO-2010125130-A1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2010-11-04 WO disclosed
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-06-03 US disclosed
EP-2172462-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-04-07 EP 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 (5 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-20150119576-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 PDE3B 1249/4885PDE3A 750/4885CA1 343/4885
US-20100137612-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND FOR PRODUCTION OF 2- PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZLINE COMPOUND ADH1C, CYP2E1, ADH1A PDE3B 1601/4885PDE3A 779/4885CA1 664/4885
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes CYP4X1, CYP4B1, AOX1 PDE3B 660/4885PDE3A 1206/4885CA1 1659/4885
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors CYP4X1, CYP3A7, CYP1B1 PDE3B 620/4885PDE3A 1110/4885CA1 2963/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 PDE3B 1249/4885PDE3A 750/4885CA1 343/4885

“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.