SCHEMBL1362620

SCHEMBL1362620

Nc1ccc(OC(C(F)(F)F)C(F)(F)F)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
POLB P06746 4/20 0.46
RAB9A P51151 1/20 0.46
KEAP1 Q14145 1/20 0.45
ALDH1A1 P00352 2/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
PTGS1 P23219 2/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL10363 0.82 KDM4E (0.44) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL743471 0.82 KDM4E (0.44) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL11289 0.82 KDM4E (0.44) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL557830 0.79 KDM4E (0.50) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL29939288 0.79 KDM4E (0.50) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL9839916 0.78 KMT2A (0.31) KMT2APOLBALDH1A1TSHRL3MBTL1
SCHEMBL21312156 0.76 KDM4E (0.47) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL28979578 0.76 KDM4E (0.47) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL2303325 0.75 KDM4E (0.50) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL5108 0.75 ALDH1A1 (0.49) KDM4EKMT2AMEN1POLBRAB9A

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
US-20170281616-A1 MORPHINAN COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2017-10-05 US disclosed
US-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
CN-1195734-C Phthalic acid diamide derivatives, intermediates in the preparation thereof, agricultural/horticultural insecticides, and methods for using the same NIHON NOHYAKU CO LTD (JP) 2005-04-06 CN disclosed
CN-1360573-A Phthalic acid diamide derivatives, intermediates in the preparation thereof, agricultural/horticultural insecticides, and methods for using the same NIHON NOHYAKU CO LTD (JP) 2002-07-24 CN 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 (2 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 KDM4E 496/4885KMT2A 271/4885MEN1 4042/4885
US-20170281616-A1 MORPHINAN COMPOUNDS OPRL1, OPRM1, OPRK1 KDM4E 3738/4885KMT2A 1710/4885MEN1 591/4885

“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.