SCHEMBL18253196

SCHEMBL18253196

COc1ccc(/C=C/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.79
MAPT P10636 8/20 0.79
L3MBTL1 Q9Y468 7/20 0.79
MAPK1 P28482 6/20 0.79
ALDH1A1 P00352 5/20 0.79
HTT P42858 4/20 0.79
TDP1 Q9NUW8 3/20 0.79
POLB P06746 3/20 0.79
LMNA P02545 2/20 0.79
MEN1 O00255 10/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
PKM P14618 2/20 0.71
OPRK1 P41145 2/20 0.71
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
MDM2 Q00987 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
GAA P10253 4/20 0.57

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
SCHEMBL3134925 0.85 KMT2A (0.74) KMT2AMAPTL3MBTL1ALDH1A1HTT
SCHEMBL3134918 0.85 KMT2A (0.74) KMT2AMAPTL3MBTL1ALDH1A1HTT
SCHEMBL16081336 0.83 MAPT (1.00) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL3739407 0.82 KMT2A (0.66) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL3668076 0.79 KMT2A (0.65) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL13572441 0.79 KMT2A (0.65) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL29045614 0.77 AMY1A (0.78) KMT2AMAPTL3MBTL1ALDH1A1HTT
SCHEMBL29045621 0.77 AMY1A (0.78) KMT2AMAPTL3MBTL1ALDH1A1HTT
SCHEMBL420540 0.75 KMT2A (0.72) KMT2AMAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL3167850 0.75 KMT2A (0.72) KMT2AMAPTL3MBTL1MAPK1ALDH1A1

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-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-29 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 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-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC KMT2A 1215/4885MAPT 2722/4885L3MBTL1 3144/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC KMT2A 1523/4885MAPT 2908/4885L3MBTL1 2922/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC KMT2A 1523/4885MAPT 2908/4885L3MBTL1 2922/4885

“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.