SCHEMBL3661470

SCHEMBL3661470

Clc1cc(Cl)c2c(Cl)cc3c(Cl)cc(Cl)c4c(Cl)cc1c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 11/20 0.38
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX15B O15296 1/20 0.32
NR1I2 O75469 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTR1A P08908 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
SLC6A2 P23975 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
SCHEMBL13000534 0.90 AHR (0.37) AHRCYP3A4MAPK1CYP1A2CYP2A6
SCHEMBL10311723 0.89 AHR (0.40) AHRCYP3A4MAPK1CYP1A2CYP2A6
SCHEMBL3724522 0.87 CYP3A4 (0.41) AHRCYP3A4MAPK1ALDH1A1TSHR
SCHEMBL10524296 0.78 AHR (0.41) AHRCYP3A4MAPK1ALDH1A1TP53
SCHEMBL28744259 0.73 CYP3A4 (0.53) AHRCYP3A4MAPK1CYP1A2LMNA
SCHEMBL29629138 0.73 CYP3A4 (0.53) AHRCYP3A4MAPK1CYP1A2LMNA
SCHEMBL29857997 0.73 CYP3A4 (0.53) AHRCYP3A4MAPK1CYP1A2LMNA
SCHEMBL28231062 0.70 MAPT (0.35) CYP3A4LMNAKDM4EMEN1ALOX15B
SCHEMBL29586636 0.69 AHR (0.55) AHRCYP3A4MAPK1CYP1A2LMNA
SCHEMBL28744278 0.69 CYP3A4 (0.56) AHRCYP3A4MAPK1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796456-B2 Naphthalene diimide compounds UNIVERSITY COLLEGE LONDON (GB) 2014-08-05 US disclosed
US-8796456-B2 Naphthalene diimide compounds UNIVERSITY COLLEGE LONDON (GB) 2014-08-05 US disclosed
US-8796456-B2 Naphthalene diimide compounds UNIVERSITY COLLEGE LONDON (GB) 2014-08-05 US disclosed
EP-2227470-B1 NAPHTHALENE DIIMIDE COMPOUNDS INTERACTING WITH G-QUADRPLEX REGIONS IN DNA UNIV LONDON (GB) 2014-03-05 EP disclosed
US-20100311739-A1 Naphthalene Diimide Compounds UNIVERSITY COLLEGE LONDON (GB) 2010-12-09 US disclosed
US-20100311739-A1 Naphthalene Diimide Compounds UNIVERSITY COLLEGE LONDON (GB) 2010-12-09 US disclosed
US-20100311739-A1 Naphthalene Diimide Compounds UNIVERSITY COLLEGE LONDON (GB) 2010-12-09 US disclosed
EP-2227470-A1 NAPHTHALENE DIIMIDE COMPOUNDS INTERACTING WITH G-QUADRUPLEX REGIONS IN DNA THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2010-09-15 EP disclosed
WO-2009068916-A1 NAPHTHALENE DIIMIDE COMPOUNDS INTERACTING WITH G-QUADRUPLEX REGIONS IN DNA SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2009-06-04 WO disclosed
WO-2009068916-A1 NAPHTHALENE DIIMIDE COMPOUNDS INTERACTING WITH G-QUADRUPLEX REGIONS IN DNA SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2009-06-04 WO 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 (1 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-20100311739-A1 Naphthalene Diimide Compounds NDC1, NUTF2, NDUFC2 AHR 127/4885CYP3A4 821/4885MAPK1 3724/4885

“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.