SCHEMBL18253155

SCHEMBL18253155

O=[N+]([O-])c1cnc(-c2cccc3c2OC(F)(F)O3)c(-c2cccc3c2OC(F)(F)O3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CXCR5 P32302 1/20 0.32
APLNR P35414 1/20 0.32
CCR6 P51684 1/20 0.32
RAB9A P51151 1/20 0.32
ATR Q13535 1/20 0.32
KRAS P01116 1/20 0.32
CYP1A2 P05177 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 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
SCHEMBL18253168 0.81 KMT2A (0.38) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL18983858 0.79 MPO (0.35) FFAR4ATRKRASJAK2JAK3
SCHEMBL8885657 0.73 CA1 (0.33) FFAR4KRASJAK2JAK3PTK2
SCHEMBL18253145 0.69 NQO1 (0.37) TDP1ALDH1A1MEN1KMT2AFFAR4
SCHEMBL8975989 0.69 TDP1 (0.42) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL978482 0.69 ATR (0.39) FFAR4ATRKRASJAK2JAK3
SCHEMBL18983564 0.65 MPO (0.34) FFAR4ATRJAK2JAK3PTK2
SCHEMBL18253162 0.65 TDO2 (0.37) FFAR4ATRJAK2JAK3PTK2
SCHEMBL8318552 0.63 ALDH1A1 (0.54) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8952083 0.63 GPR3 (0.38) FFAR4JAK2JAK3PTK2USP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2019-04-04 US disclosed
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
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
WO-2017106426-A1 FE NANOPARTICLES WITH PPM CONTENTS OF PD, CU AND/OR NI, REACTIONS IN WATER CATALYZED BY THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 WO disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 US disclosed
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water LIPSHUTZ BRUCE H (US) 2017-06-22 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 (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-20190099747-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAPT 2908/4885TDP1 4667/4885ALDH1A1 2225/4885
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAPT 2722/4885TDP1 4681/4885ALDH1A1 2210/4885
US-20170173569-A1 Fe-ppm Pd, Cu and/or Ni Nanoparticle-Catalyzed Reactions in Water TPR, SOD1, ZNF207 MAPT 661/4885TDP1 3144/4885ALDH1A1 1764/4885
US-10189016-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water SOD1, MPO, TFRC MAPT 2908/4885TDP1 4667/4885ALDH1A1 2225/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC MAPT 2908/4885TDP1 4667/4885ALDH1A1 2225/4885

“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.