SCHEMBL669350

SCHEMBL669350

CCc1c(Cl)cc(Cl)c(CC)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
CD44 P16070 1/20 0.33
LMNA P02545 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 1/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 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
SCHEMBL24039980 0.79 CYP3A4 (0.50) CYP3A4ALDH1A1GAAKDM4ECD44
SCHEMBL3668733 0.78 GAA (0.42) CYP3A4ALDH1A1GAANPC1CD44
SCHEMBL9361882 0.77 TAAR1 (0.34) CYP3A4ALDH1A1GAAKDM4ETSHR
SCHEMBL4592068 0.77 POLB (0.44) CYP3A4ALDH1A1LMNATSHRGRIN2D
SCHEMBL24603696 0.75 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4ELMNAADRB1
SCHEMBL18112469 0.74 CYP3A4 (0.50) CYP3A4ALDH1A1NPC1LMNAHTR1A
SCHEMBL9187701 0.74 SIRT1 (0.32) CYP3A4NPC1LMNAHTR1ASLC6A2
SCHEMBL8960982 0.73 GAA (0.42) CYP3A4ALDH1A1GAANPC1CD44
SCHEMBL3669302 0.73 CYP3A4 (0.35) CYP3A4ALDH1A1GAACD44HTR1A
SCHEMBL841170 0.73 NOS2 (0.35) NOS3NOS2

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-9193667-B2 Process for the selective meta-chlorination of alkylanilines LONZA LTD. (CH) 2015-11-24 US disclosed
US-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES LONZA LTD. (CH) 2013-12-19 US disclosed
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
EP-2606028-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES Lonza Ltd (CH) 2013-06-26 EP disclosed
WO-2012022460-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES LONZA LTD (CH) 2012-02-23 WO disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 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 (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-20130338400-A1 PROCESS FOR THE SELECTIVE META-CHLORINATION OF ALKYLANILINES CLIC4, CLIC1, NPM1 CYP3A4 54/4885ALDH1A1 2408/4885GAA 2069/4885

“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.