SCHEMBL3362541

SCHEMBL3362541

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
KDM4E B2RXH2 3/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.32
NLRP3 Q96P20 1/20 0.31
ATM Q13315 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
SCHEMBL112187 0.92 CA1 (0.33) RECQLKDM4EPKMMAPTCA1
SCHEMBL19775284 0.84 RECQL (0.33) RECQLKDM4EPKMMAPTCA1
SCHEMBL1304095 0.83 CA1 (0.33) RECQLKDM4EPKMMAPTCA1
SCHEMBL2013786 0.83 RXRB (0.40) RECQLKDM4EPKMMAPTCA1
SCHEMBL112330 0.83 CA1 (0.40) RECQLKDM4EMAPTCA1CA2
SCHEMBL12394977 0.82 RECQL (0.42) RECQLKDM4EPKMMAPTCA1
SCHEMBL112631 0.82 PDE3B (0.31) KDM4EMAPTCA1CA2
SCHEMBL1468064 0.81 RECQL (0.37) RECQLKDM4EPKMMAPTCA1
SCHEMBL16681127 0.81 KDM4E (0.32) KDM4EPKMMAPTCA1CA2
SCHEMBL30309323 0.81 KDM4E (0.32) KDM4EPKMMAPTCA1CA2

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
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-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
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 (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-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 RECQL 1963/4885KDM4E 4059/4885PKM 125/4885
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 RECQL 2987/4885KDM4E 3628/4885PKM 181/4885
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 RECQL 1963/4885KDM4E 4059/4885PKM 125/4885

“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.